5OXQ
PepTSt in complex with HEPES (300 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 | 2016-06-09 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9763 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 102.210, 110.050, 109.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.310 - 2.195 |
R-factor | 0.1909 |
Rwork | 0.190 |
R-free | 0.20510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4d2d |
RMSD bond length | 0.010 |
RMSD bond angle | 1.135 |
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] | 46.310 | 2.274 |
High resolution limit [Å] | 2.195 | 2.195 |
Rmerge | 0.132 | |
Number of reflections | 31840 | 3090 |
<I/σ(I)> | 14.9 | 0.95 |
Completeness [%] | 99.7 | 97.38 |
Redundancy | 13.1 | 12 |
CC(1/2) | 1.000 | 0.408 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 292.15 | 0.3 M HEPES pH 7.0, 0.25 M ammonium phosphate monobasic, 21% PEG 400 |