3NVR
Modulating Heme Redox Potential Through Protein-Induced Porphyrin Distortion
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-11-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 79.825, 126.095, 42.742 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.477 - 2.148 |
R-factor | 0.2194 |
Rwork | 0.217 |
R-free | 0.25990 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.035 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.230 |
High resolution limit [Å] | 2.150 | 2.150 |
Number of reflections | 24124 | |
<I/σ(I)> | 24.7 | 4.75 |
Completeness [%] | 99.5 | 99.8 |
Redundancy | 6.7 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 289 | 26% PEG 4000, 0.05 M MES pH 6, 0.1 M LiCl, VAPOR DIFFUSION, SITTING DROP, temperature 289K |