Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-D |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-09-03 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.53 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 101.114, 114.231, 175.190 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.950 |
R-factor | 0.1793 |
Rwork | 0.177 |
R-free | 0.21590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1MWV |
RMSD bond length | 0.023 |
RMSD bond angle | 1.991 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 175.190 | 2.060 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.473 | |
Total number of observations | 55548 | |
Number of reflections | 146277 | |
<I/σ(I)> | 9.6 | 1.7 |
Completeness [%] | 98.9 | 97.9 |
Redundancy | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 16-20% PEG 4000, 20% MPD, 0.1 M sodium citrate pH 5.6 |