5LQS
Structure of quinolinate synthase Y21F mutant in complex with substrate-derived quinolinate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-11-23 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979736 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.060, 48.740, 60.250 |
Unit cell angles | 90.00, 103.67, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.900 |
R-factor | 0.17792 |
Rwork | 0.176 |
R-free | 0.21439 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4p3x |
RMSD bond length | 0.012 |
RMSD bond angle | 1.574 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.730 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.094 | 0.588 |
Number of reflections | 23026 | |
<I/σ(I)> | 15.2 | 2.9 |
Completeness [%] | 98.6 | 97.8 |
Redundancy | 3.6 | 3.6 |
CC(1/2) | 0.989 | 0.551 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 298 | PEG3350, ammonium sulfate, oxaloacetate, DHAP, NaCl, anaerobic |