2P7G
X-ray Structure of Estrogen Related Receptor g in complex with Bisphenol A.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Temperature [K] | 200 |
Detector technology | CCD |
Collection date | 2003-08-06 |
Detector | BRUKER SMART 6000 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 64.063, 64.063, 136.484 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 68.500 - 2.100 |
Rwork | 0.215 |
R-free | 0.26000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1kv6 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.063 |
Data reduction software | SAINT |
Data scaling software | SCALA |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 68.500 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.048 | 0.140 |
Number of reflections | 17455 | |
<I/σ(I)> | 11.7 | 4.3 |
Redundancy | 2.5 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 22.6% polyethylene glycol 4000, 0.1M Tris, pH 8.5 and 0.2M Sodium Acetate, VAPOR DIFFUSION, HANGING DROP, temperature 277K |