3BTL
crystal structure of QacR(E58Q) bound to malachite green
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-04-11 |
Detector | NOIR-1 |
Wavelength(s) | 1.03 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 171.790, 171.790, 94.760 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 76.830 - 2.900 |
R-factor | 0.211 |
Rwork | 0.211 |
R-free | 0.26200 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1jt6 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.100 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 76.830 | 3.070 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.055 | 0.289 |
Number of reflections | 31835 | |
<I/σ(I)> | 8.9 | 0.3 |
Completeness [%] | 99.0 | 99.9 |
Redundancy | 9 | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | ammonium sulphate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |