2ZG7
Crystal Structure of Pd(allyl)/apo-Fr
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-08-07 |
Detector | RIGAKU RAXIS VII |
Wavelength(s) | 1.5418 |
Spacegroup name | F 4 3 2 |
Unit cell lengths | 181.450, 181.450, 181.450 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.010 - 1.700 |
R-factor | 0.17706 |
Rwork | 0.176 |
R-free | 0.20233 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dat |
RMSD bond length | 0.010 |
RMSD bond angle | 1.161 |
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] | 40.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.062 | 0.280 |
Number of reflections | 28693 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 19.8 | 19.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | ammonium sulfate, cadmium slfate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |