1PW3
Crystal structure of JtoR68S
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 113 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 72.247, 72.247, 94.256 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.900 |
R-factor | 0.21981 |
Rwork | 0.219 |
R-free | 0.23339 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cdo |
RMSD bond length | 0.009 |
RMSD bond angle | 1.190 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 17408 | |
Completeness [%] | 95.0 | 95.1 |
Redundancy | 3.2 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 0.1M Sodium Acetate, 0.8M Ammonium Sulfate, 40mM Cadmium Chloride, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |