3VB9
Crystal structure of VPA0735 from Vibrio parahaemolyticus in monoclinic form, NorthEast Structural Genomics target VpR109
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-03 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.267, 106.929, 157.178 |
| Unit cell angles | 90.00, 94.80, 90.00 |
Refinement procedure
| Resolution | 39.990 - 2.100 |
| R-factor | 0.224 |
| Rwork | 0.224 |
| R-free | 0.27400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p3y |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.301 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.160 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmerge | 0.076 | 0.289 |
| Number of reflections | 237755 | |
| <I/σ(I)> | 11.4 | 4 |
| Completeness [%] | 95.9 | 79.7 |
| Redundancy | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Microbatch under oil | 7 | 277 | 200MM MOPS, PEG8000, MGCL2, 10MM DTT, PH 7.0, 0.5M lactose, Microbatch under oil, temperature 277K |
