3BPV
Crystal Structure of MarR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Wavelength(s) | 1.00 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 43.442, 68.687, 92.555 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 13.330 - 1.400 |
R-factor | 0.243 |
Rwork | 0.243 |
R-free | 0.26400 |
Structure solution method | SAD |
RMSD bond length | 0.004 |
RMSD bond angle | 0.900 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 15.000 |
High resolution limit [Å] | 1.400 |
Number of reflections | 26318 |
<I/σ(I)> | 5 |
Completeness [%] | 99.3 |
Redundancy | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 296 | 12% PEG 3350, 8% isopropanol, 0.1 M Na K tartrate, 0.1 M Na citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 296K |