5F3D
Structure of quinolinate synthase in complex with reaction intermediate W
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-06-29 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.96770 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.902, 49.029, 60.520 |
| Unit cell angles | 90.00, 105.40, 90.00 |
Refinement procedure
| Resolution | 45.000 - 1.900 |
| R-factor | 0.17202 |
| Rwork | 0.170 |
| R-free | 0.21082 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4p3x |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.544 |
| Data reduction software | XDS (November 3, 2014) |
| Data scaling software | Aimless (0.5.9) |
| Phasing software | PHASER (2.5.7) |
| Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.200 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.070 | 0.893 |
| Number of reflections | 23542 | |
| <I/σ(I)> | 9.5 | 1.4 |
| Completeness [%] | 97.0 | 89.1 |
| Redundancy | 4.2 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | PEG3350, Tris, LiSO4, NH4SO4, KCl, DHAP, oxaloacetic acid, anaerobic |
