1DW0
STRUCTURE OF OXIDIZED SHP, AN OXYGEN BINDING CYTOCHROME C
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LURE BEAMLINE DW32 |
Synchrotron site | LURE |
Beamline | DW32 |
Temperature [K] | 277 |
Detector technology | IMAGE PLATE |
Collection date | 1998-05-01 |
Detector | MARRESEARCH |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 83.345, 103.498, 113.660 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.820 |
Rwork | 0.170 |
R-free | 0.20700 |
RMSD bond length | 0.012 * |
RMSD bond angle | 2.400 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MLPHARE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.920 |
High resolution limit [Å] | 1.820 | 1.820 |
Rmerge | 0.061 | 0.220 |
Total number of observations | 331933 * | |
Number of reflections | 45463 | |
<I/σ(I)> | 25.74 | |
Completeness [%] | 94.5 | 96.7 |
Redundancy | 7.3 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 7 | 298 | ammonium sulfate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | ammonium sulfate | 3.1 (M) | |
2 | 1 | reservoir | HEPES | 100 (mM) |