Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-07-11 |
Detector | RIGAKU |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 66.091, 66.091, 142.450 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.450 - 2.000 |
R-factor | 0.1662 |
Rwork | 0.163 |
R-free | 0.20100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zwx |
RMSD bond length | 0.006 |
RMSD bond angle | 0.803 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.500 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.105 | |
Number of reflections | 22156 | 2162 |
<I/σ(I)> | 36.6 | |
Completeness [%] | 99.8 | |
Redundancy | 13.4 | |
CC(1/2) | 0.979 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.95M succinic acid, 1% PEGMME 2000, 0.1M HEPES buffer pH 7.0 |