1PZS
Crystal Structure of a Cu-Zn Superoxide Dismutase from Mycobacterium tuberculosis at 1.63 resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID13 |
Synchrotron site | ESRF |
Beamline | ID13 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-11-15 |
Detector | MARRESEARCH |
Wavelength(s) | 0.9755 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 70.040, 58.420, 51.390 |
Unit cell angles | 90.00, 126.99, 90.00 |
Refinement procedure
Resolution | 27.950 - 1.630 |
R-factor | 0.15233 |
Rwork | 0.150 |
R-free | 0.19027 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1JCV.pdb |
RMSD bond length | 0.010 |
RMSD bond angle | 1.356 |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.950 | 1.800 |
High resolution limit [Å] | 1.634 | 1.634 |
Rmerge | 0.067 | 0.273 |
Number of reflections | 20248 | |
<I/σ(I)> | 13.54 | 5.17 |
Completeness [%] | 96.0 | 87.9 |
Redundancy | 3.62 | 3.27 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | PEG 4000, Ammonium sulfate, zinc chloride, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 20K |