5OXO
PepTSt apo structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-09-03 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.0332 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 102.100, 110.300, 110.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.360 - 1.950 |
| R-factor | 0.1813 |
| Rwork | 0.180 |
| R-free | 0.19700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4d2d |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.877 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.360 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.122 | |
| Number of reflections | 45647 | 4474 |
| <I/σ(I)> | 16.2 | 1.3 |
| Completeness [%] | 99.6 | 99.27 |
| Redundancy | 13.2 | 13.5 |
| CC(1/2) | 0.999 | 0.592 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 292.15 | 0.1 M Sodium citrate pH 4.5, 18% PEG 300 |
