2XQV
The X-ray structure of the Zn(II) bound ZnuA from Salmonella enterica
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-01-22 |
Detector | MARRESEARCH |
Spacegroup name | P 63 |
Unit cell lengths | 141.680, 141.680, 30.858 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 122.700 - 1.930 |
R-factor | 0.20679 |
Rwork | 0.206 |
R-free | 0.22770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2prs |
RMSD bond length | 0.016 |
RMSD bond angle | 1.540 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0070) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.000 |
High resolution limit [Å] | 1.930 | 1.930 |
Rmerge | 0.080 | 0.430 |
Number of reflections | 26743 | |
<I/σ(I)> | 18.42 | 3.49 |
Completeness [%] | 99.0 | 99.9 |
Redundancy | 4.6 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | PEG 400 1.5%, AMMONIUM SULPHATE 2.3 M, HEPES 0.1 M PH 7.5 . |