2J2I
Crystal Structure of the humab PIM1 in complex with LY333531
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-04-04 |
Detector | RIGAKU IMAGE PLATE |
Spacegroup name | P 65 |
Unit cell lengths | 98.157, 98.157, 80.366 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 85.130 - 1.900 |
R-factor | 0.18 |
Rwork | 0.179 |
R-free | 0.20000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bik |
RMSD bond length | 0.011 |
RMSD bond angle | 1.305 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.090 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.060 | 0.500 |
Number of reflections | 34673 | |
<I/σ(I)> | 14.5 | 5.5 |
Completeness [%] | 99.7 | 98.4 |
Redundancy | 5.27 | 3.91 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M NA2SO4, 0.1 M BIS-TRIS-PROPANE PH 7.5, 20% PEG3350, 10% ETHYLENE-GLYCOL, 0.5% DMSO, SITTING DROP, VAPOR DIFFUSION, 277 K |