3MPM
LCK complexed with a pyrazolopyrimidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E DW |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-01-12 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.073, 44.624, 120.967 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.340 - 1.950 |
| R-factor | 0.17223 |
| Rwork | 0.170 |
| R-free | 0.21297 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.326 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.340 | 2.030 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.047 | 0.300 |
| Number of reflections | 23680 | |
| <I/σ(I)> | 16.03 | 3.91 |
| Completeness [%] | 98.6 | 90.3 |
| Redundancy | 3.48 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 277 | 9.5 % PEG 8000, 0.1 M HEPES PH 7.0, 7% ETHYLENEGLYCOL, VAPOR DIFFUSION, temperature 277K |
