1XRL
Crystal structure of active site F1-mutant Y205F complex with inhibitor PCK
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-03-03 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0500 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.330, 61.850, 80.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.400 - 1.820 |
| R-factor | 0.241 |
| Rwork | 0.241 |
| R-free | 0.27900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.400 | 1.910 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Number of reflections | 24988 | |
| <I/σ(I)> | 15 | |
| Completeness [%] | 97.9 | 61.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | PEG 6000, Bis-Tris, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |
