2HZ3
The x-ray crystal structure of ferrous Synechocystis hemoglobin H117A mutant with a covalent linkage
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-11-03 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.819, 46.919, 62.089 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.530 - 1.900 |
R-factor | 0.19619 |
Rwork | 0.194 |
R-free | 0.24028 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.019 |
RMSD bond angle | 1.699 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.530 | 1.949 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.045 | 0.118 |
Number of reflections | 9459 | |
<I/σ(I)> | 27.1 | 8.5 |
Completeness [%] | 94.1 | 65 |
Redundancy | 6.39 | 3.85 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 31% PEG MME 5000, 0.1 M MES, 0.2 M ammonium sulfate, 0.01 M cadmium chloride, 0.01 M sodium hepes, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |