4EGY
Crystal Structure of AraR(DBD) in complex with operator ORA1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-01-12 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 139.730, 42.520, 67.580 |
Unit cell angles | 90.00, 114.43, 90.00 |
Refinement procedure
Resolution | 35.959 - 2.301 |
R-factor | 0.2247 |
Rwork | 0.222 |
R-free | 0.26230 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.272 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXS |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.378 | |
<I/σ(I)> | 2.4 | |
Completeness [%] | 98.0 | 97 |
Redundancy | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 298 | 26% PEG 8000, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |