3N4H
Crystal structure of Cg10062 inactivated by (S)-oxirane-2-carboxylate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-09-04 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 3 2 1 |
Unit cell lengths | 49.435, 49.435, 80.175 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.000 - 2.020 |
R-factor | 0.169 |
Rwork | 0.166 |
R-free | 0.23600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3n4g |
RMSD bond length | 0.018 |
RMSD bond angle | 1.728 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.090 |
High resolution limit [Å] | 2.020 | 2.020 |
Rmerge | 0.048 | 0.427 |
Number of reflections | 7841 | |
<I/σ(I)> | 64.887 | 8.6 |
Completeness [%] | 99.8 | 100 |
Redundancy | 11.3 | 11.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4 | 298 | 6 micro liter hanging drop consisting of equal volume of crystallization solution (3% PEG 6000, pH 4.0) and protein solution (18.1mg/L Cg10062 in 10mM Tris-SO4, pH 8.0), vapor diffusion, hanging drop, temperature 298K |