5F35
Structure of quinolinate synthase in complex with citrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-04-19 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.8726 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.948, 49.300, 62.701 |
| Unit cell angles | 90.00, 104.25, 90.00 |
Refinement procedure
| Resolution | 27.770 - 1.600 |
| R-factor | 0.13038 |
| Rwork | 0.128 |
| R-free | 0.17701 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4p3x |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.557 |
| Data reduction software | XDS (November 3, 2014) |
| Data scaling software | Aimless (0.5.2) |
| Phasing software | PHASER (2.5.7) |
| Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.300 | 1.620 |
| High resolution limit [Å] | 1.570 | 1.570 |
| Rmerge | 0.100 | 0.841 |
| Number of reflections | 40043 | |
| <I/σ(I)> | 9.5 | 1.5 |
| Completeness [%] | 99.1 | 99.1 |
| Redundancy | 5.5 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 298 | PEG4000, Na3citrate, NH4acetate, NaCl, anaerobic |
