4MTA
Crystal structure of Pim-1 kinase domain in complex with 2-methyl-5-phenylfuran-3-carboxylic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2006-02-16 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.99190 |
Spacegroup name | P 65 |
Unit cell lengths | 95.790, 95.790, 79.760 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 23.950 - 2.200 |
R-factor | 0.16 |
Rwork | 0.158 |
R-free | 0.19200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xr1 |
RMSD bond length | 0.009 |
RMSD bond angle | 0.970 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.4) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.290 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 21108 | |
<I/σ(I)> | 9.1 | 3.72 |
Completeness [%] | 99.4 | 100 |
Redundancy | 3.7 | 3.75 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 293 | 1.0 M ammonium dihydrogen phosphate, 0.2 M sodium chloride, 0.1 M sodium citrate, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |