1JZM
Crystal Structure of Scapharca inaequivalvis HbI, I114M Mutant in the Absence of ligand.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 296 |
Detector technology | IMAGE PLATE |
Collection date | 2000-04-04 |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 91.820, 44.490, 143.930 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.760 - 1.900 |
R-factor | 0.171 |
Rwork | 0.171 |
R-free | 0.20100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4SDH (deoxy wild type HbI) |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.069 | 0.256 |
Number of reflections | 22491 | |
<I/σ(I)> | 11.2 | |
Completeness [%] | 94.8 | 81.7 |
Redundancy | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 8.5 | 296 | Phosphate buffer, pH 8.5, Microbatch, temperature 296K |
1 | MICROBATCH | 8.5 | 296 | Phosphate buffer, pH 8.5, Microbatch, temperature 296K |