3ODQ
Structure of a Crystal Form of Human Methemoglobin Indicative of Fiber Formation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-05-10 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 54.600, 54.600, 677.420 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.290 - 3.100 |
| R-factor | 0.286 |
| Rwork | 0.284 |
| R-free | 0.32500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nej |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.000 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | PHASER |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.290 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.131 | 0.557 |
| Number of reflections | 16326 | |
| <I/σ(I)> | 7.2 | 1.3 |
| Completeness [%] | 85.0 | 39.6 |
| Redundancy | 8.13 | 2.65 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 295 | 15-30% PEG, pH 4.5-5.5, 0.2 M salt of several varieties, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
