4AJ9
Catalase 3 from Neurospora crassa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-12-08 |
Detector | ADSC QUANTUM 210 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 130.750, 154.190, 160.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.700 - 1.850 |
R-factor | 0.1795 |
Rwork | 0.177 |
R-free | 0.21760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ej6 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.075 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.900 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.100 | 0.380 |
Number of reflections | 269226 | |
<I/σ(I)> | 12.56 | 3.3 |
Completeness [%] | 98.0 | 87.8 |
Redundancy | 3.56 | 2.66 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.6 | 0.1 M MES PH 6.6, 20 % PEG 3350, 0.2 M AMMONIUM TARTRATE DIBASIC |