2XIY
Protein kinase Pim-1 in complex with fragment-2 from crystallographic fragment screen
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-05-29 |
Detector | MARRESEARCH |
Spacegroup name | P 65 |
Unit cell lengths | 96.987, 96.987, 80.870 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.620 - 2.200 |
R-factor | 0.1715 |
Rwork | 0.170 |
R-free | 0.20075 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | IN-HOUSE PIM-1 STRUCTURE |
RMSD bond length | 0.010 |
RMSD bond angle | 1.214 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.600 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.090 | 0.450 |
Number of reflections | 21175 | |
<I/σ(I)> | 21.2 | 2.25 |
Completeness [%] | 96.0 | 71.3 |
Redundancy | 8.6 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 0.9 M (NH4)2HPO4,0.1 M SODIUM CITRATE PH=5.5 , 0.2M NACL |