7P4M
Structure of the quinolinate synthase Y107F variant in an empty open form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-06-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9760 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.442, 49.051, 60.809 |
Unit cell angles | 90.00, 106.83, 90.00 |
Refinement procedure
Resolution | 46.480 - 1.550 |
R-factor | 0.1355 |
Rwork | 0.133 |
R-free | 0.17750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5f35 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.852 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER (2.5.7) |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.050 | 1.600 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.028 | 0.498 |
Number of reflections | 44673 | 4354 |
<I/σ(I)> | 14.7 | |
Completeness [%] | 98.1 | |
Redundancy | 2.6 | |
CC(1/2) | 0.996 | 0.608 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG3350, NaF, Bis Tris propane, anaerobic, pH 6.5 |