5OXM
PepTSt in complex with dipeptide Asp-Glu
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-02-12 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.0396 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 100.600, 109.000, 107.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.563 - 2.295 |
| R-factor | 0.2157 |
| Rwork | 0.215 |
| R-free | 0.23530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4d2b |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.916 |
| 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] | 48.570 | 2.377 |
| High resolution limit [Å] | 2.295 | 2.295 |
| Rmerge | 0.107 | |
| Number of reflections | 26529 | 2526 |
| <I/σ(I)> | 10.33 | 1.03 |
| Completeness [%] | 99.0 | 95.06 |
| Redundancy | 6.5 | 6.8 |
| CC(1/2) | 0.998 | 0.509 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 292.15 | 0.1 M HEPES pH 7.0, 0.25 M ammonium phosphate monobasic, 21% PEG 400, 10 mM Asp-Glu |
