6OR8
An Unexpected Intermediate in the Reaction Catalyzed by Quinolinate Synthase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-23 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.393, 52.527, 53.393 |
| Unit cell angles | 90.00, 114.39, 90.00 |
Refinement procedure
| Resolution | 48.627 - 1.650 |
| R-factor | 0.169 |
| Rwork | 0.166 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wzu |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.567 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MLPHARE |
| Refinement software | PHENIX ((1.10.1_2155)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.650 | 1.690 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Number of reflections | 28922 | |
| <I/σ(I)> | 9.93 | |
| Completeness [%] | 100.0 | |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1 M MES, pH 6.5, 12% PEG 20000, 0.2 mM FAD, 5 mM Asp |
