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 |
