3E4W
Crystal structure of a 33kDa catalase-related protein from Mycobacterium avium subsp. paratuberculosis. P2(1)2(1)2(1) crystal form.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CAMD BEAMLINE GCPCC |
Synchrotron site | CAMD |
Beamline | GCPCC |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-08-31 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.38079 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.721, 81.620, 163.108 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.500 - 1.800 |
Rwork | 0.197 |
R-free | 0.21000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Model of lower resolution structure based on Fe MAD data |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.500 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 75154 | |
<I/σ(I)> | 19.5 | 2 |
Completeness [%] | 87.6 | 86.5 |
Redundancy | 2.2 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 289 | 1.5 M 1,6-hexanediol, 0.1 M Na citrate, 13-15 % PEG 20000, 2.5-6.5 % glycerol, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 289K |