3UHI
HBI (K96R) CO bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 2000-07-20 |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 83.630, 43.950, 87.520 |
Unit cell angles | 90.00, 115.25, 90.00 |
Refinement procedure
Resolution | 30.270 - 2.500 |
R-factor | 0.204 |
Rwork | 0.204 |
R-free | 0.26600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3sdh |
RMSD bond length | 0.006 |
RMSD bond angle | 0.900 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | EPMR |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.093 | 0.241 |
Number of reflections | 18004 | |
<I/σ(I)> | 9.5 | 3.6 |
Completeness [%] | 88.8 | 80.3 |
Redundancy | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 7.5 | 296 | 2.1-2.3 M phosphate buffer, pH 7.5, MICROBATCH, temperature 296K |