3JTJ
3-deoxy-manno-octulosonate cytidylyltransferase from Yersinia pestis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-08-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 97.058, 97.058, 93.626 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.200 - 2.180 |
| R-factor | 0.183 |
| Rwork | 0.182 |
| R-free | 0.20900 |
| Structure solution method | SAD |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.565 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.100 | 2.220 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rmerge | 0.107 | 0.889 |
| Number of reflections | 26852 | |
| <I/σ(I)> | 10.3 | 2.97 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 16.8 | 10.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.2 M calcium chloride, 20% PEG-3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
