3CY2
Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and a beta carboline ligand II
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-09-14 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54178 |
Spacegroup name | P 65 |
Unit cell lengths | 98.668, 98.668, 81.129 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.297 - 2.010 |
R-factor | 0.169 |
Rwork | 0.167 |
R-free | 0.19900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2c3i |
RMSD bond length | 0.015 |
RMSD bond angle | 1.371 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.25) |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 32.297 | 32.297 | 2.120 |
High resolution limit [Å] | 2.010 | 6.360 | 2.010 |
Rmerge | 0.075 | 0.033 | 0.704 |
Total number of observations | 4794 | 22252 | |
Number of reflections | 29963 | ||
<I/σ(I)> | 8.4 | 16.6 | 1.1 |
Completeness [%] | 100.0 | 99.3 | 100 |
Redundancy | 5.2 | 4.9 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 0.56 M Na succinate pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |