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 |
