6ZTV
Crystal Structure of catalase HPII from Escherichia coli (serendipitously crystallized)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-09-14 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 73.784, 172.257, 123.176 |
Unit cell angles | 90.00, 104.52, 90.00 |
Refinement procedure
Resolution | 69.430 - 1.780 |
R-factor | 0.1891 |
Rwork | 0.189 |
R-free | 0.22850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gge |
RMSD bond length | 0.006 |
RMSD bond angle | 1.091 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 80.000 | 1.890 |
High resolution limit [Å] | 1.780 | 1.780 |
Rmerge | 0.100 | 0.802 |
Rmeas | 0.113 | 0.905 |
Number of reflections | 282120 | 45601 |
<I/σ(I)> | 11.54 | 1.84 |
Completeness [%] | 99.4 | 99.5 |
Redundancy | 4.56 | 4.62 |
CC(1/2) | 0.998 | 0.828 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 292 | 0.2 M NaCl, 0.1 M Tris pH 7.5, 20% w/v PEG 4000, 10% MPD |