5DJ7
S. erythraea trypsin acyl-enzyme
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-07-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.688 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.682, 47.433, 53.680 |
Unit cell angles | 90.00, 106.20, 90.00 |
Refinement procedure
Resolution | 40.027 - 0.870 |
R-factor | 0.1064 |
Rwork | 0.106 |
R-free | 0.12120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4m7g |
RMSD bond length | 0.010 |
RMSD bond angle | 1.148 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((dev_2471: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.550 | 0.880 |
High resolution limit [Å] | 0.870 | 0.870 |
Rmerge | 0.043 | 1.632 |
Number of reflections | 158263 | |
<I/σ(I)> | 17.8 | 0.8 |
Completeness [%] | 95.8 | 69.3 |
Redundancy | 5.2 | 3.2 |
CC(1/2) | 0.999 | 0.243 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 50 mM HEPES, pH 8.0, 38% MPD, 20 mM calcium chloride |