2ZG8
Crystal Structure of Pd(allyl)/apo-H49AFr
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-08-20 |
Detector | RIGAKU RAXIS VII |
Wavelength(s) | 1.5418 |
Spacegroup name | F 4 3 2 |
Unit cell lengths | 181.339, 181.339, 181.339 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.150 - 1.600 |
R-factor | 0.18869 |
Rwork | 0.188 |
R-free | 0.21110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dat |
RMSD bond length | 0.009 |
RMSD bond angle | 1.098 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.062 | 0.284 |
Number of reflections | 34183 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 17.8 | 8.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | ammonium sulfate, cadmium sulfate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |