5OXP
PepTSt in occluded conformation with phosphate ion bound
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 | 2015-10-25 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9763 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 101.600, 110.100, 107.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.037 - 2.372 |
R-factor | 0.1949 |
Rwork | 0.194 |
R-free | 0.20810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4d2b |
RMSD bond length | 0.009 |
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] | 49.040 | 2.457 |
High resolution limit [Å] | 2.372 | 2.372 |
Rmerge | 0.094 | |
Number of reflections | 24769 | 2386 |
<I/σ(I)> | 14.09 | 1.17 |
Completeness [%] | 99.6 | 97.27 |
Redundancy | 6.5 | 6.4 |
CC(1/2) | 0.999 | 0.477 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 292.15 | 0.1 M sodium phosphate pH 6.5, 0.25 M ammonium phosphate monobasic, 24% PEG 400 |