2OFA
Crystal structure of apo AVR4 (R112L,C122S)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-09-16 |
Detector | MAR CCD 165 mm |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 77.852, 77.852, 110.782 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 63.250 - 1.500 |
R-factor | 0.17326 |
Rwork | 0.172 |
R-free | 0.18846 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.016 |
RMSD bond angle | 1.573 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.250 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.487 | |
Number of reflections | 55076 | |
Completeness [%] | 99.8 | 97.8 |
Redundancy | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.4 | 293 | 1.5-1.9M NaFormate, 0.1M Acetate, pH 4.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |