6CKK
N. meningitidis CMP-sialic acid synthetase in the presence of CTP and Ca2+
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 | 2015-01-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.03316 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.190, 69.560, 158.210 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 79.110 - 1.800 |
| R-factor | 0.20435 |
| Rwork | 0.202 |
| R-free | 0.24958 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1eyr |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.728 |
| 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] | 79.110 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.048 | 0.291 |
| Number of reflections | 42666 | 2883 |
| <I/σ(I)> | 16.64 | 3.56 |
| Completeness [%] | 93.8 | 87.7 |
| Redundancy | 3.35 | 3.32 |
| CC(1/2) | 0.998 | 0.920 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.1 M imidazole pH 8, 6% PEG 8000, and 0.2M calcium acetate |
