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 |