2EKT
Crystal structure of myoglobin reconstituted with 6-methyl-6-depropionatehemin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL44B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-02-18 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.7800 |
| Spacegroup name | P 6 |
| Unit cell lengths | 90.248, 90.248, 45.346 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 1.100 |
| R-factor | 0.1311 |
| R-free | 0.15800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jw8 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.030 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.140 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Number of reflections | 85421 | |
| <I/σ(I)> | 38.7 | 6.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 23.5 | 14.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 277 | 3.0M ammonium sulfate, 100mM bis-tris propane, pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
