4N70
Pim1 Complexed with a pyridylcarboxamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 160 |
Detector technology | CCD |
Collection date | 2009-05-13 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9765 |
Spacegroup name | P 65 |
Unit cell lengths | 97.950, 97.950, 81.080 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.410 - 2.100 |
R-factor | 0.1694 |
Rwork | 0.167 |
R-free | 0.20830 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.370 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.410 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.081 | 0.471 |
Number of reflections | 25905 | |
<I/σ(I)> | 0.089 | 4.2 |
Completeness [%] | 99.9 | 100 |
Redundancy | 5.9 | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | RESERVOIR SOLUTION - 0.7M (NH4)2HPO4, 0.3M NACL, 0.1M NACITRATE, PH 5.5, PROTEIN SOLUTION - 7.5MG/ML IN 20MM HEPES, 100MM NACL, 5MM DTT, PH 8, COMPOUND WAS SOAKED IN, TEMPERATURE 298.0K, VAPOR DIFFUSION, HANGING DROP |