3ASE
Crystal Structure of Zinc myoglobin soaked with Ru3O cluster
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-12-16 |
Detector | RIGAKU RAXIS VII |
Wavelength(s) | 1.5418 |
Spacegroup name | P 6 |
Unit cell lengths | 90.722, 90.722, 45.395 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.650 - 1.750 |
R-factor | 0.20275 |
Rwork | 0.201 |
R-free | 0.23246 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 3.019 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 1.810 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.054 | 0.325 |
Number of reflections | 21608 | |
<I/σ(I)> | 29.9 | 3.8 |
Completeness [%] | 99.6 | 99.4 |
Redundancy | 8.2 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 277 | 3.2-2.9M ammonium sulfate in 0.1 M Bis-Tris-propane, pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 277K |