2O5Y
Crystal structure of the 1E9 LeuH47Trp/ArgH100Trp Fab progesterone 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 | 2004-11-11 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.99996 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 128.354, 128.354, 91.816 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.850 |
R-factor | 0.18607 |
Rwork | 0.183 |
R-free | 0.23586 |
Structure solution method | rigid body refinement |
RMSD bond length | 0.015 |
RMSD bond angle | 1.649 |
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 | 2.920 |
High resolution limit [Å] | 2.850 | 2.850 |
Rmerge | 0.111 | 0.382 |
Number of reflections | 20438 | |
<I/σ(I)> | 9.6 | 2.4 |
Completeness [%] | 96.4 | 88.3 |
Redundancy | 3.9 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 1.5 M ammonium sulfate, 0.15 M sodium citrate, 0.01% PEG 20000, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295.0K |