4URJ
Crystal structure of human BJ-TSA-9
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-05-23 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 78.120, 50.730, 120.290 |
Unit cell angles | 90.00, 105.27, 90.00 |
Refinement procedure
Resolution | 42.084 - 2.680 |
R-factor | 0.2349 |
Rwork | 0.232 |
R-free | 0.26560 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.744 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | Rosetta (MR) |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.080 | 2.810 |
High resolution limit [Å] | 2.680 | 2.680 |
Rmerge | 0.200 | 0.600 |
Number of reflections | 25987 | |
<I/σ(I)> | 3.4 | 1.9 |
Completeness [%] | 99.9 | 100 |
Redundancy | 5.4 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.8M SODIUM PHOSPHATE MONOBASIC, 0.8M SODIUM PHOSPHATE DIBASIC, 0.1M HEPES PH 7.5 |