3NVU
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 | 2007-10-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 127.158, 79.828, 43.322 |
| Unit cell angles | 90.00, 102.25, 90.00 |
Refinement procedure
| Resolution | 39.054 - 2.038 |
| R-factor | 0.1915 |
| Rwork | 0.189 |
| R-free | 0.23450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.060 |
| 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 | 2.110 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Number of reflections | 26928 | |
| <I/σ(I)> | 22.72 | 8.25 |
| Completeness [%] | 99.4 | 95 |
| Redundancy | 3.7 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 289 | 22% PEG 4000, 0.05 M MES pH 6, 0.01 M LiCl, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
