1U2J
Crystal structure of the C-terminal domain from the catalase-peroxidase KatG of Escherichia coli (P21 21 21)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-10-02 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97395 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 84.208, 98.699, 302.821 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.960 - 2.300 |
R-factor | 0.24264 |
Rwork | 0.233 |
R-free | 0.32668 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1u2k |
RMSD bond length | 0.012 |
RMSD bond angle | 1.359 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.200 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 135504 | |
Completeness [%] | 91.4 | 92.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.6 M Sodium Citrate, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |