2OFB
Crystal structure of AVR4 (R112L/C122S)-BNA complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-06-15 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 77.904, 77.904, 110.326 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.160 |
R-factor | 0.17739 |
Rwork | 0.177 |
R-free | 0.18747 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.011 |
RMSD bond angle | 1.436 |
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] | 40.000 | 1.200 |
High resolution limit [Å] | 1.160 | 1.160 |
Number of reflections | 142049 | |
<I/σ(I)> | 37 | |
Completeness [%] | 95.1 | 93.4 |
Redundancy | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 1.5-1.9M NaFormate, 0.1M Acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |