Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-04-28 |
Detector | DECTRIS PILATUS 2M |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 64.090, 154.110, 134.670 |
Unit cell angles | 90.00, 92.49, 90.00 |
Refinement procedure
Resolution | 45.320 - 2.000 |
R-factor | 0.2017 |
Rwork | 0.199 |
R-free | 0.24514 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4arw |
RMSD bond length | 0.008 |
RMSD bond angle | 1.206 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.300 | 2.010 |
High resolution limit [Å] | 1.960 | 1.960 |
Rmerge | 0.050 | 0.680 |
Number of reflections | 88442 | |
<I/σ(I)> | 18.5 | 2.7 |
Completeness [%] | 94.4 | 91.6 |
Redundancy | 7.2 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | 4% PEG6000, 0.1M MES PH6, 0.05M MGCL2, 0.1M NABR, 1% B-ME |