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 |
