3UHY
HBI (R104K) deoxy
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 2001-02-06 |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 92.060, 44.440, 143.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.210 - 2.200 |
R-factor | 0.174 |
Rwork | 0.174 |
R-free | 0.20700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4sdh |
RMSD bond length | 0.005 |
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 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.066 | 0.260 |
Number of reflections | 14786 | |
<I/σ(I)> | 13.3 | 3.7 |
Completeness [%] | 95.6 | 88.8 |
Redundancy | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SMALL TUBES | 8.5 | 298 | 1.5-2.5 M phosphate, pH 8.50, SMALL TUBES, temperature 298K |