Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU IMAGE PLATE |
Spacegroup name | P 21 3 |
Unit cell lengths | 137.055, 137.055, 137.055 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.560 - 2.100 |
R-factor | 0.211 |
Rwork | 0.208 |
R-free | 0.25200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.186 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.560 | |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.060 | 0.450 |
Number of reflections | 49729 | |
<I/σ(I)> | 17.1 | 3.1 |
Completeness [%] | 99.4 | 95.7 |
Redundancy | 5.3 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 0.1 M MES PH 6.5, 0.2 M NACL AND 1.5 M (NH4)2SO4 |