4OWC
PtI6 binding to HEWL
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-12-04 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 78.689, 78.689, 36.939 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.820 - 1.620 |
R-factor | 0.17535 |
Rwork | 0.174 |
R-free | 0.19319 |
RMSD bond length | 0.020 |
RMSD bond angle | 1.809 |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.820 | 1.650 |
High resolution limit [Å] | 1.620 | 1.620 |
Rmerge | 0.089 | 0.178 |
Number of reflections | 27444 | |
<I/σ(I)> | 16.2 | 3.7 |
Completeness [%] | 97.8 | 79 |
Redundancy | 8.7 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 4.7 | 295 | HEWL (60 mg) was dissolved in 0.04 M acetate buffer, pH 4.7 (1 mL) and 10% NaCl (1 mL) was added to the solution. HEWL crystals were soaked for 24hrs in a solution of K2PtI6 (10mM). |