5NJL
Cwp2 from Clostridium difficile
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-04-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 134.828, 134.828, 102.835 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 116.760 - 1.900 |
| R-factor | 0.21637 |
| Rwork | 0.215 |
| R-free | 0.24488 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5j6q |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.440 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 120.830 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rpim | 0.021 | 0.772 |
| Number of reflections | 43871 | 2766 |
| <I/σ(I)> | 21.6 | 1.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 62.5 | 35.3 |
| CC(1/2) | 1.000 | 0.685 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | 2.0 M amonium sulphate 0.1 M bis-tris |
