1DNU
STRUCTURAL ANALYSES OF HUMAN MYELOPEROXIDASE-THIOCYANATE COMPLEX
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 84 |
Detector technology | IMAGE PLATE |
Collection date | 1998-06-03 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 111.240, 63.870, 92.620 |
Unit cell angles | 90.00, 97.54, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.850 |
Rwork | 0.178 |
R-free | 0.21000 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.223 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.900 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.048 | 0.139 |
Number of reflections | 108318 | |
<I/σ(I)> | 14.5 | |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor Diffusion, Hanging Drop with Macro Seeding | 5.5 | 295 | Crystal is grown from sodium acetate, ammonium sulfate calcium chloride, and Peg MW 8000. It was subsequently equilibrated with a substitute mother liquor which contained sodium thiocyanate., pH 5.5, Vapor Diffusion, Hanging Drop with Macro Seeding, temperature 22K |