2JJR
V232K, N236D-trichosanthin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 2007-06-29 |
Detector | RIGAKU IMAGE PLATE |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 73.640, 73.640, 143.443 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 63.760 - 2.300 |
R-factor | 0.186 |
Rwork | 0.184 |
R-free | 0.21400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tcs |
RMSD bond length | 0.011 |
RMSD bond angle | 1.385 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 |
Phasing software | MOSFLM |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.670 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.080 | 0.200 |
Number of reflections | 20607 | |
<I/σ(I)> | 17.8 | 4.9 |
Completeness [%] | 99.7 | 98.7 |
Redundancy | 3.7 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 2% PEG 8000, 1.0 M LITHIUM SULFATE |