6NSO
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] | 80 |
| Detector technology | CCD |
| Collection date | 2014-06-23 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.400, 52.790, 55.640 |
| Unit cell angles | 90.00, 112.07, 90.00 |
Refinement procedure
| Resolution | 33.770 - 1.600 |
| R-factor | 0.186 |
| Rwork | 0.184 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wzu |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.466 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.770 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.076 | 0.667 |
| Number of reflections | 31790 | |
| <I/σ(I)> | 10.2 | 1.3 |
| Completeness [%] | 94.2 | 62.9 |
| Redundancy | 3.4 | 2.3 |
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, 5 MM ASP, 10 MM DHAP, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 295K |
