6EIA
PepTSt in complex with HEPES (100 mM)
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 | 2015-09-19 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9796 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 102.490, 110.030, 110.560 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.250 - 2.000 |
| R-factor | 0.1818 |
| Rwork | 0.181 |
| R-free | 0.20040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4d2d |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.779 |
| 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] | 49.250 | 2.072 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.065 | |
| Number of reflections | 42456 | 4167 |
| <I/σ(I)> | 23.25 | 2.33 |
| Completeness [%] | 99.8 | 99.52 |
| Redundancy | 13.1 | 13.2 |
| CC(1/2) | 0.999 | 0.766 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 292.15 | 0.1 M HEPES pH 7.0, 0.23M ammonium phosphate monobasic, 19% PEG 400 |
