6JLR
Crystal structure of wild type MNK2 in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-05-22 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 105.111, 105.111, 72.198 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.283 - 2.901 |
| R-factor | 0.3001 |
| Rwork | 0.297 |
| R-free | 0.35140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ac3 |
| Data scaling software | d*TREK (9.9.9.4 W9RSSI) |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 56.570 | 56.570 | 2.270 |
| High resolution limit [Å] | 2.190 | 4.720 | 2.190 |
| Rmerge | 0.230 | 0.078 | 0.698 |
| Rmeas | 0.251 | 0.085 | 0.980 |
| Total number of observations | 111944 | 19546 | 444 |
| Number of reflections | 18914 | 2470 | 325 |
| <I/σ(I)> | 4.6 | 16.4 | 0.4 |
| Completeness [%] | 78.9 | 97.8 | 14 |
| Redundancy | 5.87 | 7.84 | 1.37 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.7 | 293 | 23% polyacrylic acid 5100, 2% 2-methyl-2,4-pentane diol, 100mM Hepes pH 7.7 |
