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 |