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 |