2EKU
Crystal structure of myoglobin reconstituted with 7-methyl-7-depropionatehemin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL45XU |
Synchrotron site | SPring-8 |
Beamline | BL45XU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-02-12 |
Detector | RIGAKU RAXIS V |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.768, 30.517, 34.434 |
Unit cell angles | 90.00, 105.59, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.400 |
R-factor | 0.1265 |
R-free | 0.19450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1a6k |
RMSD bond length | 0.010 |
RMSD bond angle | 0.027 |
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 | 1.450 |
High resolution limit [Å] | 1.400 | 1.400 |
Number of reflections | 25369 | |
<I/σ(I)> | 25.6 | 6.8 |
Completeness [%] | 99.7 | 98.9 |
Redundancy | 6.6 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 290 | 3.1M ammonium sulfate, 100mM bis-tris propane, pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 290K |