1Q09
Crystal structure of the Zn(II) form of E. coli ZntR, a zinc-sensing transcriptional regulator (space group I4122)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-1 |
Synchrotron site | SSRL |
Beamline | BL9-1 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2001-02-01 |
Detector | MARRESEARCH |
Wavelength(s) | 0.97 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 83.799, 83.799, 179.993 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.770 - 2.500 |
R-factor | 0.255 |
Rwork | 0.255 |
R-free | 0.27800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | ZntR in crystal form P212121 |
RMSD bond length | 0.005 |
RMSD bond angle | 18.900 * |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.000 | 2.560 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.052 | 0.291 |
Number of reflections | 11353 | |
<I/σ(I)> | 13.2 | 2.9 |
Completeness [%] | 99.1 | 98.7 |
Redundancy | 14.5 | 14.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 18 * | ammonium sulfate, sodium chloride, magnesium chloride, MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 4 (mg/ml) | |
2 | 1 | drop | dithiothreitol | 5 (mM) | |
3 | 1 | reservoir | ammonium sulfate | 40 (%) | |
4 | 1 | reservoir | 20 (mM) | ||
5 | 1 | reservoir | 10 (mM) | ||
6 | 1 | reservoir | MES | 0.1 (M) | pH6.5 |