2Z77
X-ray crystal structure of RV0760c from Mycobacterium tuberculosis in complex with estradiol-17beta-hemisuccinate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-09-23 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.11587 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.906, 66.428, 80.303 |
| Unit cell angles | 90.00, 105.95, 90.00 |
Refinement procedure
| Resolution | 36.470 - 2.030 |
| R-factor | 0.20702 |
| Rwork | 0.203 |
| R-free | 0.27713 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2a15 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.831 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.100 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Number of reflections | 35166 | |
| <I/σ(I)> | 17.09 | 2.04 |
| Completeness [%] | 95.6 | 95.7 |
| Redundancy | 1.8 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 295 | 8% PEG 8000, 0.1M Sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
