4QF9
Structure of GluK1 ligand-binding domain (S1S2) in complex with (S)-2-amino-4-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)butanoic acid at 2.28 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-3 |
Synchrotron site | MAX II |
Beamline | I911-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-04-11 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 117.265, 86.802, 78.282 |
Unit cell angles | 90.00, 111.62, 90.00 |
Refinement procedure
Resolution | 29.389 - 2.280 |
R-factor | 0.2 |
Rwork | 0.198 |
R-free | 0.24650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1VSO MOL A |
RMSD bond length | 0.002 |
RMSD bond angle | 0.637 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHASER (2.1.4) |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.390 | 29.389 | 2.400 |
High resolution limit [Å] | 2.280 | 7.210 | 2.280 |
Rmerge | 0.036 | 0.377 | |
Total number of observations | 4107 | 19055 | |
Number of reflections | 33230 | ||
<I/σ(I)> | 8.7 | 8.2 | 1.9 |
Completeness [%] | 99.7 | 98.7 | 99.3 |
Redundancy | 4 | 3.8 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 279 | 24.4% PEG4000, 0.3M ammonium sulfate, 0.1M phosphate citrate buffer pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 279K |