1DZR
RmlC from Salmonella typhimurium
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MARRESEARCH |
Wavelength(s) | 0.855, 0.9790, 0.9791 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 71.550, 71.550, 184.450 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.170 |
R-factor | 0.226 |
Rwork | 0.226 |
R-free | 0.26000 |
Structure solution method | MAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.900 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | |
High resolution limit [Å] | 2.170 | 2.170 * |
Rmerge | 0.046 | 0.384 * |
Number of reflections | 27292 | |
<I/σ(I)> | 19.4 | |
Completeness [%] | 92.1 * | 80.7 * |
Redundancy | 2.2 | 2.1 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, sitting drop * | 7.75 * | Giraud, M.-F., (1999) Acta Crystallogr, D55, 706. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | Tris-HCl | 25 (mM) | |
2 | 1 | drop | protein | 3.75 (mg/ml) | |
3 | 1 | drop | dithiothreitol | 5 (mM) | |
4 | 1 | reservoir | ammonium sulfate | 1.6 (M) | |
5 | 1 | reservoir | MES | 0.1 (M) |