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 |