6RJN
Crystal structure of a Fungal Catalase at 2.3 Angstroms
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-26 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.98010 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 165.943, 173.690, 96.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.665 - 2.295 |
R-factor | 0.1451 |
Rwork | 0.142 |
R-free | 0.19630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | wwPDB 2XQ1 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.163 |
Data reduction software | XDS (MARCH 1, 2015) |
Data scaling software | Aimless (0.5.17) |
Phasing software | PHASER (2.6.0) |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.900 | 2.420 |
High resolution limit [Å] | 2.290 | 2.290 |
Rmerge | 0.253 | 1.477 |
Rmeas | 0.279 | 1.604 |
Rpim | 0.147 | 0.619 |
Number of reflections | 124735 | 17551 |
<I/σ(I)> | 9 | |
Completeness [%] | 99.5 | 97 |
Redundancy | 6.7 | 6.6 |
CC(1/2) | 0.988 | 0.579 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.2 M sodium sulfate, 0.1 M Bis-Tris propane, pH 6.5, 20% (w/v) polyethylene glycol (PEG) 3350 |