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 |
