4D5A
Clostridial Cysteine protease Cwp84 C116A after propeptide cleavage
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 | 2014-01-31 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 |
| Unit cell lengths | 48.094, 70.152, 78.852 |
| Unit cell angles | 65.22, 89.89, 80.18 |
Refinement procedure
| Resolution | 71.380 - 1.600 |
| R-factor | 0.18252 |
| Rwork | 0.181 |
| R-free | 0.21055 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ci7 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.274 |
| 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] | 47.300 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.090 | 0.470 |
| Number of reflections | 110175 | |
| <I/σ(I)> | 6.8 | 2.1 |
| Completeness [%] | 90.8 | 49.9 |
| Redundancy | 2.8 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 0.18 M NACL, 90 MM TRIS PH 8.0, 18% PEG 6000, 0.02% W/V 1,4-DIAMINOBUTANE, 0.02% W/V CYSTAMINE DIHYDROCHLORIDE, 0.02% W/V DILOXANIDE FUROATE, 0.02% W/V SARCOSINE, 0.02% W/V SPERMINE, 2MM SODIUM HEPES PH 6.8 |
