3VUB
CCDB, A TOPOISOMERASE POISON FROM E. COLI
Experimental procedure
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR590 |
Temperature [K] | 300 |
Detector technology | DIFFRACTOMETER |
Collection date | 1996-09 |
Detector | ENRAF-NONIUS FAST |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 75.870, 36.890, 36.230 |
Unit cell angles | 90.00, 115.16, 90.00 |
Refinement procedure
Resolution | 35.000 - 1.400 |
R-factor | 0.188 |
Rwork | 0.188 |
R-free | 0.21700 |
Structure solution method | MIR |
Starting model (for MR) | PRELIMINARY MIR MODEL IN DIFFERENT CRYSTAL FORM |
RMSD bond length | 0.006 |
RMSD bond angle | 24.950 * |
Data reduction software | MADNES |
Data scaling software | CCP4 |
Phasing software | X-PLOR (3.851) |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 1.500 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.079 * | 0.388 * |
Total number of observations | 57148 * | |
Number of reflections | 16670 | |
<I/σ(I)> | 22.18 | 5.18 |
Completeness [%] | 93.5 | 83.1 |
Redundancy | 3.4 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 4.5 | pH 4.5 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 2.6-5.0 (mg/ml) | |
2 | 1 | reservoir | PEG6000 | 6-12 (%) | |
3 | 1 | reservoir | mPEG5000 | 10-20 (%) |