6ORA
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 | 53.052, 52.134, 97.803 |
| Unit cell angles | 90.00, 96.27, 90.00 |
Refinement procedure
| Resolution | 45.945 - 2.200 |
| R-factor | 0.1996 |
| Rwork | 0.196 |
| R-free | 0.24270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wzu |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.465 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11_2561)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.250 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.115 | 0.557 |
| Number of reflections | 25676 | 1766 |
| <I/σ(I)> | 5.7 | 1.3 |
| Completeness [%] | 94.4 | 94.5 |
| Redundancy | 2.3 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 295 | 0.2 M AMMONIUM ACETATE, 0.1 M SODIUM ACETATE, PH 4.6, 30% PEG 4000, 10 MM OAA, 10 MM DHAP, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 295K |
