3N07
Structure of putative 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase from Vibrio cholerae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-28 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.946, 77.109, 78.500 |
| Unit cell angles | 90.00, 106.65, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.760 |
| R-factor | 0.172 |
| Rwork | 0.170 |
| R-free | 0.20100 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.341 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | HKL2Map |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.790 |
| High resolution limit [Å] | 1.760 | 4.780 | 1.760 |
| Rmerge | 0.087 | 0.057 | 0.600 |
| Number of reflections | 72199 | ||
| <I/σ(I)> | 12.9 | ||
| Completeness [%] | 99.0 | 99.6 | 81 |
| Redundancy | 6.2 | 6 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 0.1M Bis-Tris pH 6.5, 25% PEG 3350, Vapor diffusion, Sitting drop, temperature 298K |
