Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 113 |
Detector technology | IMAGE PLATE |
Collection date | 1997-07-03 |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.5418 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 177.420, 177.420, 96.420 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.350 - 1.900 |
R-factor | 0.15243 |
Rwork | 0.152 |
R-free | 0.17047 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | Published hexagonal structure without Mn or solvent atoms |
RMSD bond length | 0.011 |
RMSD bond angle | 1.280 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 1.970 | |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 65584 | |
<I/σ(I)> | 24.4 | 5.69 |
Completeness [%] | 93.0 | 63.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 277 | Tris, PEG 4k, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 277K |