4Q1Z
Crystal structure of a DUF4876 family protein (BT_1938) from Bacteroides thetaiotaomicron VPI-5482 at 2.50 A resolution
Replaces: 4NPGExperimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-05-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91837, 0.97867, 0.97806 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 76.202, 76.202, 174.721 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.120 - 2.500 |
| R-factor | 0.1807 |
| Rwork | 0.179 |
| R-free | 0.20960 |
| Structure solution method | MAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.160 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELX |
| Refinement software | BUSTER-TNT (2.10.0) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.120 | 29.120 | 2.590 |
| High resolution limit [Å] | 2.500 | 5.350 | 2.500 |
| Rmerge | 0.072 | 0.027 | 0.978 |
| Number of reflections | 20991 | 3999 | 3730 |
| <I/σ(I)> | 14.74 | 39.2 | 1.4 |
| Completeness [%] | 99.0 | 98.8 | 92.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 277 | 0.2M NaCl, 50.0% PEG-400, 0.1M CHES pH 9.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
