3K8D
Crystal structure of E. coli lipopolysaccharide specific CMP-KDO synthetase in complex with CTP and 2-deoxy-Kdo
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-06 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 |
| Unit cell lengths | 94.770, 94.770, 153.140 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.270 - 1.900 |
| R-factor | 0.153 |
| Rwork | 0.151 |
| R-free | 0.18200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vh1 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.142 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.300 | 1.920 |
| High resolution limit [Å] | 1.898 | 1.900 |
| Rmerge | 0.079 | 0.330 |
| Number of reflections | 121076 | |
| <I/σ(I)> | 16 | 5.3 |
| Completeness [%] | 99.7 | 99.1 |
| Redundancy | 5.3 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 5mM CTP, 5mM 2-deoxy Kdo, 85mM HEPES, pH7.5, 17% PEG10000, 6.8% ethylene glycol, 15% (v/v), VAPOR DIFFUSION, SITTING DROP, temperature 277K |
