6RJR
Crystal structure of a Fungal Catalase at 1.9 Angstrom
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-06-28 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97922 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 96.670, 131.620, 176.670 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.980 - 1.895 |
R-factor | 0.1839 |
Rwork | 0.181 |
R-free | 0.24130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | wwPDB 6RJN |
RMSD bond length | 0.012 |
RMSD bond angle | 1.210 |
Data reduction software | XDS (Oct 15, 2015) |
Data scaling software | Aimless (0.5.17) |
Phasing software | PHASER (2.6.0) |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.980 | 1.963 |
High resolution limit [Å] | 1.895 | 1.895 |
Rmerge | 0.136 | 0.534 |
Rmeas | 0.155 | 0.615 |
Rpim | 0.074 | 0.300 |
Number of reflections | 764478 | 63907 |
<I/σ(I)> | 8.68 | |
Completeness [%] | 98.9 | 91.62 |
Redundancy | 4.3 | 4 |
CC(1/2) | 0.995 | 0.238 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 293 | 0.1 M sodium citrate, pH 5.5, 20% (w/v) polyethylene glycol (PEG) 3000 |