3V3J
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 | 2011-08-24 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.199, 71.577, 73.649 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.515 - 1.630 |
R-factor | 0.1843 |
Rwork | 0.182 |
R-free | 0.21880 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.290 |
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 | 1.690 |
High resolution limit [Å] | 1.630 | 3.510 | 1.630 |
Rmerge | 0.070 | 0.044 | 0.489 |
Number of reflections | 28381 | ||
<I/σ(I)> | 13.3 | ||
Completeness [%] | 99.3 | 99.9 | 97.6 |
Redundancy | 6.3 | 6.7 | 5.6 |
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 |