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 |
