6IFD
Crystal Structure of CMP-N-acetylneuraminate Synthetase from Vibrio cholerae in complex with CDP and Mg2+.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-12-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 93.380, 97.720, 98.760 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.550 - 2.300 |
R-factor | 0.203 |
Rwork | 0.202 |
R-free | 0.24000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ezi |
RMSD bond length | 0.010 |
RMSD bond angle | 1.140 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.730 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.070 | 0.790 |
Number of reflections | 40516 | 811 |
<I/σ(I)> | 1.6 | |
Completeness [%] | 99.4 | |
Redundancy | 6.2 | |
CC(1/2) | 0.990 | 0.790 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | PEG 8000, calcium acetate and sodium cacodylate |