4D59
Clostridial Cysteine protease Cwp84 C116A after propeptide cleavage
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-05-09 |
| Detector | DECTRIS PILATUS 2M |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.220, 58.421, 93.100 |
| Unit cell angles | 89.28, 77.96, 71.62 |
Refinement procedure
| Resolution | 90.900 - 1.840 |
| R-factor | 0.23043 |
| Rwork | 0.227 |
| R-free | 0.29128 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ci7 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.323 |
| Data reduction software | XDS |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.400 | 1.880 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.070 | 0.590 |
| Number of reflections | 59711 | |
| <I/σ(I)> | 13.6 | 2.7 |
| Completeness [%] | 83.5 | 83 |
| Redundancy | 2.6 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 20% V/V DMSO, 20 % V/V JEFFAMINE M2070, pH 8 |
