4RC2
Crystal structure of Ser/Thr kinase Pim1 in complex with Mitoxantrone derivatives
Experimental procedure
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Detector technology | CCD |
Collection date | 2013-04-27 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97622 |
Spacegroup name | P 65 |
Unit cell lengths | 97.734, 97.734, 81.247 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.530 - 2.096 |
R-factor | 0.20995 |
Rwork | 0.208 |
R-free | 0.24559 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ywv |
RMSD bond length | 0.019 |
RMSD bond angle | 2.001 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.140 |
High resolution limit [Å] | 2.096 | 2.096 |
Rmerge | 0.082 | 0.554 |
Number of reflections | 25977 | |
Completeness [%] | 99.7 | 100 |
Redundancy | 11.3 | 11.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 291 | 0.4 M potassium sodium tartrate tetrahydrate, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |