3K8E
Crystal structure of E. coli lipopolysaccharide specific CMP-KDO synthetase
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 | C 1 2 1 |
| Unit cell lengths | 124.470, 77.180, 143.630 |
| Unit cell angles | 90.00, 90.03, 90.00 |
Refinement procedure
| Resolution | 47.000 - 2.510 |
| R-factor | 0.20055 |
| Rwork | 0.199 |
| R-free | 0.23397 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vh1 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.317 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.000 | 2.570 |
| High resolution limit [Å] | 2.500 | 2.510 |
| Rmerge | 0.060 | 0.346 |
| Number of reflections | 46074 | |
| <I/σ(I)> | 16 | 4.97 |
| Completeness [%] | 97.8 | 97 |
| Redundancy | 3.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 277 | 100mM sodium acetate, pH4.6, 250mM sodium sulfate, 15% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
