1D5L
CRYSTAL STRUCTURE OF CYANIDE-BOUND HUMAN MYELOPEROXIDASE ISOFORM C AT PH 5.5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 87 |
Detector technology | IMAGE PLATE |
Collection date | 1999-06-08 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 111.215, 63.507, 92.337 |
Unit cell angles | 90.00, 97.43, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.900 |
R-factor | 0.172 |
Rwork | 0.172 |
R-free | 0.21500 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.171 * |
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] | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.060 | 0.196 |
Total number of observations | 258017 * | |
Number of reflections | 97701 | |
<I/σ(I)> | 6.38 | 6.38 |
Completeness [%] | 98.7 | 97.5 |
Redundancy | 2.641 | 2.61 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 * | 289 | Davey, C.A., (1996) Biochemistry, 35, 10967. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | MPO | 20 (mg/ml) | |
2 | 1 | drop | sodium acetate | 50 (mM) | pH5.0 |
3 | 1 | drop | ammonium sulfate | 50 (mM) | |
4 | 1 | drop | 10 (mM) | ||
5 | 1 | drop | PEG8000 | 8 (%) | |
6 | 1 | reservoir | 0.2 (M) |