4H3W
Crystal structure of a putative secreted protein (BDI_1231) from Parabacteroides distasonis ATCC 8503 at 2.00 A resolution
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-08-02 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 |
| Unit cell lengths | 38.746, 65.323, 78.756 |
| Unit cell angles | 91.64, 92.35, 104.50 |
Refinement procedure
| Resolution | 48.317 - 1.870 |
| R-factor | 0.1984 |
| Rwork | 0.196 |
| R-free | 0.23820 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.479 |
| Data reduction software | XDS |
| Data scaling software | XSCALE (March 15, 2012) |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.317 | 1.940 | |
| High resolution limit [Å] | 1.870 | 4.020 | 1.870 |
| Rmerge | 0.059 | 0.038 | 0.570 |
| Number of reflections | 53817 | 5456 | 3971 |
| <I/σ(I)> | 11.4 | 28.4 | 1.8 |
| Completeness [%] | 87.2 | 87.7 | 61.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 30.0% polyethylene glycol 4000, 0.2M magnesium chloride, 0.1M TRIS pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
