3G8Y
CRYSTAL STRUCTURE OF A PUTATIVE HYDROLASE (BVU_4111) FROM BACTEROIDES VULGATUS ATCC 8482 AT 1.90 A RESOLUTION
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-07 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.91162, 0.97982, 0.97966 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 75.903, 75.903, 323.386 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.399 - 1.900 |
| R-factor | 0.17 |
| Rwork | 0.168 |
| R-free | 0.20900 |
| Structure solution method | MAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.544 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.5) |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.399 | 29.399 | 1.950 |
| High resolution limit [Å] | 1.900 | 8.500 | 1.900 |
| Rmerge | 0.143 | 0.053 | 0.778 |
| Total number of observations | 3487 | 23246 | |
| Number of reflections | 44914 | ||
| <I/σ(I)> | 4.824 | 10.8 | 1 |
| Completeness [%] | 100.0 | 97.6 | 100 |
| Redundancy | 7.1 | 5.5 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 277 | NANODROP, 20.0% PEG 6000, 0.1M Bicine pH 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
