2YEQ
Structure of PhoD
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-12-02 |
Detector | ADSC CCD |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 147.318, 147.318, 347.646 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 135.640 - 1.930 |
R-factor | 0.17962 |
Rwork | 0.178 |
R-free | 0.20243 |
Structure solution method | MAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.013 |
RMSD bond angle | 1.302 |
Data reduction software | autoPROC (USING XDS) |
Data scaling software | autoPROC (USING SCALA) |
Phasing software | autoSHARP |
Refinement software | REFMAC (5.6.0095) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 135.000 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.080 | 0.490 |
Number of reflections | 141401 | |
<I/σ(I)> | 9.6 | 2 |
Completeness [%] | 99.0 | 96 |
Redundancy | 3.5 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.8 | 0.1 NA/K PO4 PH 5.8, 52% PEG 200, 0.2M NACL |