2WD4
Ascorbate Peroxidase as a heme oxygenase: w41A variant product with t-butyl peroxide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-02-02 |
Detector | ADSC CCD |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 82.067, 82.067, 75.137 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.030 - 1.400 |
R-factor | 0.1911 |
Rwork | 0.190 |
R-free | 0.21638 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ggn |
RMSD bond length | 0.008 |
RMSD bond angle | 1.620 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CCP4 |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 82.200 | 1.480 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.060 | 0.570 |
Number of reflections | 51023 | |
<I/σ(I)> | 16.5 | 3.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.6 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | SITTING DROP, LI2SO4 2.25 M, HEPES 0.1 M PH 8.3, PROTEIN CONCENTRATION 10 MG/ML |