2P0V
Crystal structure of BT3781 protein from Bacteroides thetaiotaomicron, Northeast Structural Genomics Target BtR58
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 | 2007-02-25 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97912 |
| Spacegroup name | P 1 |
| Unit cell lengths | 51.070, 64.010, 74.185 |
| Unit cell angles | 80.74, 84.14, 75.05 |
Refinement procedure
| Resolution | 29.610 - 2.100 |
| R-factor | 0.211 |
| Rwork | 0.211 |
| R-free | 0.23400 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SnB |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.610 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.061 | 0.222 |
| Number of reflections | 99728 | |
| <I/σ(I)> | 11.6 | 3.08 |
| Completeness [%] | 93.6 | 96.3 |
| Redundancy | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 100 mM Tris-HCl, 20% PEG 4000, 100 mM Potassium bromide, 5 mM DTT, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
