Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-28 |
Detector | RIGAKU SATURN 944 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 64.300, 155.000, 134.450 |
Unit cell angles | 90.00, 92.03, 90.00 |
Refinement procedure
Resolution | 37.233 - 1.952 |
R-factor | 0.235 |
Rwork | 0.233 |
R-free | 0.27740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4arw |
RMSD bond length | 0.008 |
RMSD bond angle | 1.244 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0017) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.230 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.040 | 0.470 |
Number of reflections | 81490 | |
<I/σ(I)> | 14.7 | 2 |
Completeness [%] | 85.5 | 69 |
Redundancy | 2.5 | 2.3 |
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 |