Data set | GluR2:(S)-CPW399 | (Y702F)GluR2:(S)-CPW399 | (Y702F)GluR2:KA |
---|---|---|---|
Source | X11, EMBL, Hamburg | X11, EMBL, Hamburg | X11, EMBL, Hamburg |
Detector | MAR CCD | MAR CCD | MAR CCD |
Space group | P21212 | P41 | P21212 |
Unit cell (Å) | a = 58.91, b = 96.35, c = 48.53 | a = 47.72, b = 47.72, c = 237.40 | a = 95.73, b = 60.30, c = 48.49 |
Solvent content (%) | 48 | 47 | 42 |
No. per a.u.a | 1 | 2 | 1 |
Oscillation (°) | 0.5 | 0.5 | 0.5 |
Crystal mosaicity (°) | 0.36 | 0.60 | 0.77 |
Wavelength (Å) | 0.8111 | 0.8111 | 0.8111 |
Resolution (Å)b | 24.4-1.8 (1.86-1.80) | 20.0-2.1 (2.18-2.10) | 20.4-1.85 (1.88-1.85) |
Unique obs. | 26,350 | 28,467 | 24,433 |
Average redundancy | 4.2 | 3.2 | 3.5 |
Completeness (%)b | 99.3 (100) | 92.3 (90.2) | 98.9 (96.0) |
Rmerge (%)b | 9.0 (39.2) | 8.6 (34.7) | 7.3 (43.2) |
I/σ (I)b | 14.8 (3.5) | 10.3 (3.3) | 16.1 (3.0) |
Refinement | |||
Atoms in structure | 2511 | 4458 | 2456 |
No. of waters and sulfate ions | 421/0 | 372/0 | 361/5 |
Rfactor (%)c | 18.0 | 20.2 | 15.4 |
Rfree (%)d | 20.1 | 25.0 | 20.7 |
Rmsd bond lengths (Å)/angles (°) | 0.008/1.4 | 0.006/1.2 | 0.02/1.8 |
Residues in allowed regions of Ramachandran plot (%)e | 99.6 | 98.7 | 100 |
Average B-factors of main-chain atoms (Å2) | 8.5 | 22.1 | 16.0 |
Average B-factors of side-chain atoms (Å2) | 11.8 | 25.1 | 20.0 |
Average B-factors of waters and sulfate ions (Å2) | 26.4/- | 31.8/- | 31.9/52.3 |
↵ a Number of protein molecules per asymmetric unit (a.u.).
↵ b Values in parentheses correspond to the highest resolution bin.
↵ c Crystallographic Rfactor = Σ(hkl)∥Fo | - | Fc∥/Σ(hkl) | Fo |.
↵ d Rfree = Σ(hkl)∈T∥Fo | - | Fc∥/Σ(hkl)∈T | Fo |, where T is a test set containing a random 5.0, 2.5, and 5.0% of the observations omitted from the refinement process for the GluR2-S1S2J:(S)-CPW399, (Y702F)GluR2-S1S2J:(S)-CPW399, and (Y702F)GluR2-S1S2J:KA complexes, respectively.
↵ e The Ramachandran plots were calculated according to Kleywegt and Jones (1996).