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 |
