1S69
The X-ray structure of the cyanobacteria Synechocystis hemoglobin "cyanoglobin" with cyanide ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2002-10-01 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | I 41 |
Unit cell lengths | 84.060, 84.060, 64.620 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.500 - 1.680 |
R-factor | 0.1927 |
Rwork | 0.192 |
R-free | 0.19921 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dly |
RMSD bond length | 0.023 |
RMSD bond angle | 1.809 |
Data reduction software | CRYSTAL (VIEW) |
Data scaling software | d*TREK |
Phasing software | CNS |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.490 | 1.740 |
High resolution limit [Å] | 1.680 | 1.680 |
Rmerge | 0.055 | 0.343 |
Number of reflections | 37950 | |
<I/σ(I)> | 15.3 | 2.1 |
Completeness [%] | 75.2 | 5 |
Redundancy | 4.92 | 1.02 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 1.5M sodium citrate, 0.2M ammonium citrate, 20% sucrose, 3% dioxane, 25mM sodium cyanide, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 1.5M sodium citrate, 0.2M ammonium citrate, 20% sucrose, 3% dioxane, 25mM sodium cyanide, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 1.5M sodium citrate, 0.2M ammonium citrate, 20% sucrose, 3% dioxane, 25mM sodium cyanide, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |