1DW3
STRUCTURE OF A REDUCED OXYGEN BINDING CYTOCHROME C
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 1999-01-01 |
Detector | MACSCIENCE |
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 - 2.100 |
Rwork | 0.171 |
R-free | 0.19800 |
RMSD bond length | 0.027 * |
RMSD bond angle | 3.200 * |
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 | 2.200 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.051 | 0.210 |
Total number of observations | 140377 * | |
Number of reflections | 29224 | |
<I/σ(I)> | 20.91 | |
Completeness [%] | 96.8 | 95.3 |
Redundancy | 4.9 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 7 | 298 | ammonium sulfate, reduced in anaerobic glovebox by dithionite, 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) |