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 |
