2GRF
Crystal structure of Scapharca inaequivalvis HBI, M37V mutant in the absence of ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 2000-05-18 |
Detector | RIGAKU RAXIS IIC |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 91.740, 44.510, 144.050 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.750 - 2.100 |
R-factor | 0.184 |
Rwork | 0.184 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4SDH (DEOXY WILD TYPE HBI) |
RMSD bond length | 0.005 |
RMSD bond angle | 1.100 |
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 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.311 | |
Number of reflections | 16213 | |
<I/σ(I)> | 9.3 | |
Completeness [%] | 90.9 | 86.7 |
Redundancy | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SMALL TUBES | 8.5 | 298 | PHOSPHATE BUFFER, pH 8.50, SMALL TUBES, temperature 298K |