3ZCY
Ascorbate peroxidase W41A-H42Y mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 82.280, 82.280, 75.170 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.797 - 2.000 |
R-factor | 0.1623 |
Rwork | 0.160 |
R-free | 0.21320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1oag |
RMSD bond length | 0.008 |
RMSD bond angle | 1.157 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.980 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.080 | 0.240 |
Number of reflections | 18012 | |
<I/σ(I)> | 24 | 10.6 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 13.4 | 13.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |