5BXG
Crystal structure of an uncharacterized beta-sandwich protein (CD630_09570) from Clostridium difficile 630 at 1.90 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-05-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97923 |
| Spacegroup name | P 61 |
| Unit cell lengths | 69.108, 69.108, 87.802 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.453 - 1.900 |
| R-factor | 0.1663 |
| Rwork | 0.165 |
| R-free | 0.18910 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.130 |
| Data scaling software | XDS (November 3, 2014 BUILT=20141118) |
| Phasing software | SHELX |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.453 | 49.453 | 1.970 |
| High resolution limit [Å] | 1.900 | 4.080 | 1.900 |
| Rmerge | 0.065 | 0.040 | 0.615 |
| Rmeas | 0.071 | 0.044 | 0.730 |
| Total number of observations | 117394 | ||
| Number of reflections | 18773 | 1937 | 1909 |
| <I/σ(I)> | 15.17 | 36.8 | 1.7 |
| Completeness [%] | 99.7 | 99.7 | 98.1 |
| Redundancy | 6.253 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 20% polyethylene glycol 3350, 0.2M tri-sodium citrate |
