3V3G
Kinetic and structural studies of thermostabilized mutants of HCA II.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2011-09-16 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.050, 72.057, 74.701 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.485 - 1.558 |
R-factor | 0.1722 |
Rwork | 0.170 |
R-free | 0.20030 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.245 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.7.2_869) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 1.620 |
High resolution limit [Å] | 1.558 | 3.360 | 1.558 |
Rmerge | 0.078 | 0.054 | 0.488 |
Number of reflections | 32937 | ||
<I/σ(I)> | 16.8 | ||
Completeness [%] | 99.4 | 100 | 97.9 |
Redundancy | 6.9 | 6.8 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 30% w/v PEG 4000, 0.2M magnesium chloride hexahydrate, 0.1M TRIS hydrochloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |