3M23
Crystallographic and Single Crystal Spectral Analysis of the Peroxidase Ferryl Intermediate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 65 |
Detector technology | CCD |
Collection date | 2009-11-01 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 107.469, 74.988, 51.249 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.400 |
Rwork | 0.113 |
Structure solution method | AB INITIO |
RMSD bond length | 0.021 |
RMSD bond angle | 0.031 |
Data reduction software | MOSFLM |
Data scaling software | HKL-2000 |
Phasing software | SHELX |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.420 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.093 | 0.430 |
Number of reflections | 78084 | |
<I/σ(I)> | 12.3 | 2.8 |
Completeness [%] | 95.8 | 93.3 |
Redundancy | 3.2 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | 277.2 | 10uL (350-400uM protein), 22% MPD, 50mM tris phoshate buffer pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277.2K |