2W3P
BoxC crystal structure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-002 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-12-17 |
Detector | RIGAKU IMAGE PLATE |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 85.159, 99.847, 136.734 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.980 - 1.500 |
R-factor | 0.188 |
Rwork | 0.187 |
R-free | 0.20700 |
Structure solution method | SAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.010 |
RMSD bond angle | 1.303 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | SHARP |
Refinement software | REFMAC (5.4.0077) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.180 | 1.540 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.060 | 0.360 |
Number of reflections | 183917 | |
<I/σ(I)> | 13.4 | 3.2 |
Completeness [%] | 98.8 | 88.7 |
Redundancy | 6.43 | 4.13 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 25% PEG 3350 0.1 M TRIS 8.5 |