3FGB
Crystal structure of the Q89ZH8_BACTN protein from Bacteroides thetaiotaomicron. Northeast Structural Genomics Consortium target BtR289b.
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-21 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97941, 0.97960, 0.96862 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.478, 85.082, 99.429 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.930 - 2.000 |
| R-factor | 0.225 |
| Rwork | 0.225 |
| R-free | 0.24000 |
| Structure solution method | MAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXDE |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.127 | 0.303 |
| Number of reflections | 94128 | |
| <I/σ(I)> | 18.6 | 7.3 |
| Completeness [%] | 99.5 | 100 |
| Redundancy | 8.1 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 20% PEG 20000, 0.035M potassium chloride, 0.1M Tris.HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
