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 |
