3Q4I
Crystal structure of CDP-Chase in complex with Gd3+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-07-10 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.005, 70.855, 111.793 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.900 - 2.500 |
R-factor | 0.2258 |
Rwork | 0.223 |
R-free | 0.28760 |
Structure solution method | Direct refinement |
RMSD bond length | 0.010 |
RMSD bond angle | 1.162 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | REFMAC (5.2.0019) |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.590 |
High resolution limit [Å] | 2.500 | 5.380 | 2.500 |
Rmerge | 0.083 | 0.061 | 0.544 |
Number of reflections | 16640 | ||
<I/σ(I)> | 15.7 | ||
Completeness [%] | 95.5 | 89.3 | 97.9 |
Redundancy | 4.6 | 4.4 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | Tris-HCl, Li2SO4, PEG-4000, pH 8.5, vapor diffusion, hanging drop, temperature 298K |