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 |