6CKL
N. meningitidis CMP-sialic acid synthetase in the presence of CMP and Neu5Ac2en
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-06-23 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97950 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 128.480, 151.010, 84.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 97.860 - 2.684 |
R-factor | 0.19673 |
Rwork | 0.194 |
R-free | 0.24171 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1eyr |
RMSD bond length | 0.012 |
RMSD bond angle | 1.598 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 97.860 | 2.750 |
High resolution limit [Å] | 2.680 | 2.680 |
Rmerge | 0.089 | 0.503 |
Number of reflections | 22814 | 1615 |
<I/σ(I)> | 11.57 | 2.13 |
Completeness [%] | 97.1 | 94.2 |
Redundancy | 3.14 | 2.78 |
CC(1/2) | 0.995 | 0.727 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.1 M sodium citrate/citric acid pH 5.5 and 20% PEG 3000 |