5DK1
S. erythraea trypsin mixed catalytic intermediate
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 | 2013-08-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.688 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 41.037, 53.297, 124.927 |
| Unit cell angles | 90.00, 91.97, 90.00 |
Refinement procedure
| Resolution | 39.368 - 0.938 |
| R-factor | 0.1073 |
| Rwork | 0.107 |
| R-free | 0.11710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4m7g |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.129 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((dev_2356: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.426 | 0.951 |
| High resolution limit [Å] | 0.938 | 0.938 |
| Rmerge | 0.064 | |
| Number of reflections | 173768 | |
| <I/σ(I)> | 13.3 | 1.2 |
| Completeness [%] | 99.9 | 80 |
| Redundancy | 10 | 9.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 100 mM HEPES, pH 8.0, 2.3 M ammonium sulfate |
