4ZI1
HUMAN ESTROGEN RECEPTOR BETA LIGAND-BINDING DOMAIN IN COMPLEX WITH KB095285 AND CIA12 COACTIVATOR PEPTIDE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-10-12 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54 |
Spacegroup name | I 41 |
Unit cell lengths | 85.258, 85.258, 112.140 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.980 - 2.100 |
R-factor | 0.177 |
Rwork | 0.175 |
R-free | 0.22270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | INTERNAL DATA |
Data reduction software | MOSFLM (6.2.3) |
Data scaling software | SCALA (3.2.5) |
Phasing software | MOLREP (8.2.01) |
Refinement software | REFMAC (5.1.9999) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.980 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.060 | 0.340 |
Number of reflections | 23165 | |
<I/σ(I)> | 7.87 | 2.24 |
Completeness [%] | 99.3 | 100 |
Redundancy | 2.47 | 2.39 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 293 | 10.5% (W/V) P6000, 1.75M NACL 0.1 M MES, PH 5.2, 12.5% (V/V) GLYCEROL, 2 TIMES EXCESS OF CIA12 PEPTIDE |