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 |