7P4Q
Structure of the quinolinate synthase S124A variant complexed with citrate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-03-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9999 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.740, 49.330, 62.240 |
Unit cell angles | 90.00, 108.14, 90.00 |
Refinement procedure
Resolution | 59.150 - 2.200 |
R-factor | 0.1815 |
Rwork | 0.179 |
R-free | 0.22300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6i0p |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.150 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.083 | 0.351 |
Number of reflections | 16403 | 1585 |
<I/σ(I)> | 14.2 | |
Completeness [%] | 99.2 | |
Redundancy | 5 | |
CC(1/2) | 0.995 | 0.897 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG4000, ammonium acetate, NaCl, trisodium citrate, pH 5.6 |