2D6C
Crystal structure of myoglobin reconstituted with iron porphycene
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL44B2 |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2004-07-10 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.533, 79.902, 54.619 |
| Unit cell angles | 90.00, 110.88, 90.00 |
Refinement procedure
| Resolution | 19.980 - 2.260 |
| R-factor | 0.251 |
| Rwork | 0.251 |
| R-free | 0.29500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a6k |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.100 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.330 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Number of reflections | 15759 | |
| <I/σ(I)> | 12.5 | 2.93 |
| Completeness [%] | 97.8 | 95.6 |
| Redundancy | 3 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 3.0M ammonium sulfate, 0.1M Imidazole pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K |
