Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-03-13 |
Detector | ADSC CCD |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 146.440, 146.440, 133.040 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 3.500 |
R-factor | 0.23799 |
Rwork | 0.234 |
R-free | 0.27038 |
Structure solution method | SAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.007 |
RMSD bond angle | 1.031 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.690 |
High resolution limit [Å] | 3.500 | 3.500 |
Rmerge | 0.240 | 0.980 |
Number of reflections | 11094 | |
<I/σ(I)> | 11 | 4.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.6 | 14.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.6 | 1.8 M NA/K PHOSPHATE BUFFER 5.6 |