1QWS
Structure of the D181N variant of catalase HPII from E. coli
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-07-08 |
Detector | MARRESEARCH |
Wavelength(s) | 0.9763 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 93.434, 132.881, 122.098 |
Unit cell angles | 90.00, 109.66, 90.00 |
Refinement procedure
Resolution | 28.000 - 1.900 |
R-factor | 0.16727 |
Rwork | 0.164 |
R-free | 0.22046 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gge |
RMSD bond length | 0.019 |
RMSD bond angle | 1.634 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.810 | 1.990 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 218251 | |
<I/σ(I)> | 7.2 | |
Completeness [%] | 99.5 | 97.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 15% PEG 3350, 1.6M LiCl, 0.1M Tris, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |