3UH6
HBI (T72A) 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 | 2001-06-27 |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 93.120, 43.860, 83.420 |
Unit cell angles | 90.00, 122.04, 90.00 |
Refinement procedure
Resolution | 30.150 - 2.250 |
R-factor | 0.172 |
Rwork | 0.172 |
R-free | 0.22200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3sdh |
RMSD bond length | 0.005 |
RMSD bond angle | 1.000 |
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 | 2.330 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.084 | 0.202 |
Number of reflections | 13167 | |
<I/σ(I)> | 11.2 | 3.2 |
Completeness [%] | 95.5 | 90.3 |
Redundancy | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SMALL TUBES | 7.5 | 298 | phosphate, pH 7.5, SMALL TUBES, temperature 298K |