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 |