2O5Z
Crystal structure of the 1E9 LeuH47Trp/ArgH100Trp Fab 5-beta-androstane-3,17-dione complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-09-21 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.05966 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 127.328, 127.328, 91.963 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.400 |
R-factor | 0.17374 |
Rwork | 0.171 |
R-free | 0.21630 |
Structure solution method | rigid body refinement |
RMSD bond length | 0.015 |
RMSD bond angle | 1.574 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC (5.2.0019) |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.085 | 0.529 |
Number of reflections | 33845 | |
<I/σ(I)> | 14.3 | 2.7 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 4.3 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 295 | 2.0 M ammonium sulfate, 0.15 M sodium citrate, 0.01% PEG 20000, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 295.0K |