5LQM
Structure of quinolinate synthase Y21F mutant in complex with citrate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-10-31 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.96862 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.807, 48.936, 60.422 |
Unit cell angles | 90.00, 104.62, 90.00 |
Refinement procedure
Resolution | 37.530 - 1.620 |
R-factor | 0.15212 |
Rwork | 0.149 |
R-free | 0.20136 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4p3x |
RMSD bond length | 0.012 |
RMSD bond angle | 1.535 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.15) |
Phasing software | PHASER (2.5.7) |
Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.530 | 1.680 |
High resolution limit [Å] | 1.620 | 1.620 |
Rmerge | 0.044 | 0.454 |
Number of reflections | 34681 | |
<I/σ(I)> | 12 | 1.8 |
Completeness [%] | 91.0 | 62 |
Redundancy | 2.5 | 2.4 |
CC(1/2) | 0.998 | 0.490 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 298 | PEG3350, sodium citrate, KCl, anaerobic |