4HPE
Crystal structure of a putative cell wall hydrolase (CD630_03720) from Clostridium difficile 630 at 2.38 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-07-17 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 |
| Unit cell lengths | 65.522, 101.211, 101.436 |
| Unit cell angles | 109.71, 108.86, 101.36 |
Refinement procedure
| Resolution | 49.396 - 2.380 |
| R-factor | 0.1764 |
| Rwork | 0.175 |
| R-free | 0.21080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fdy |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.030 |
| Data reduction software | XDS |
| Data scaling software | XSCALE (March 15, 2012) |
| Phasing software | PHASER (2.3.0) |
| Refinement software | BUSTER-TNT |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.396 | 49.396 | 2.460 |
| High resolution limit [Å] | 2.380 | 5.100 | 2.380 |
| Rmerge | 0.084 | 0.047 | 0.497 |
| Number of reflections | 76631 | 14737 | 13065 |
| <I/σ(I)> | 6.53 | 13.9 | 1.6 |
| Completeness [%] | 84.9 | 82.6 | 78.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.1 | 277 | 20.00% 2-propanol, 24.00% polyethylene glycol 4000, 0.1M sodium citrate - citric acid pH 5.1, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
