1JZK
Crystal Structure of Scapharca inaequivalvis HbI, I114F mutant (deoxy)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 296 |
Detector technology | IMAGE PLATE |
Collection date | 2001-02-23 |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 83.720, 44.180, 87.230 |
Unit cell angles | 90.00, 115.49, 90.00 |
Refinement procedure
Resolution | 37.690 - 2.200 |
R-factor | 0.179 |
Rwork | 0.179 |
R-free | 0.21400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4sdh |
RMSD bond length | 0.007 |
RMSD bond angle | 1.400 |
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 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.093 | 0.173 |
Number of reflections | 28828 | |
<I/σ(I)> | 11.2 | |
Completeness [%] | 97.2 | 81.4 |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 7.5 | 296 | 2.1-2.3M Phosphate buffer, pH 7.5, Microbatch, temperature 296K |