6M0U
Structure of AhSYMRK kinase domain mutant - K625E
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | RRCAT INDUS-2 BEAMLINE PX-BL21 |
| Synchrotron site | RRCAT INDUS-2 |
| Beamline | PX-BL21 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-04-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.979470 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 83.905, 83.905, 80.497 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.230 - 2.290 |
| R-factor | 0.2156 |
| Rwork | 0.213 |
| R-free | 0.26000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hgk |
| RMSD bond length | 0.001 |
| RMSD bond angle | 1.063 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.24) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.240 | 40.240 | 2.370 |
| High resolution limit [Å] | 2.290 | 8.860 | 2.290 |
| Rmerge | 0.046 | 0.022 | 0.424 |
| Rmeas | 0.050 | 0.024 | 0.458 |
| Rpim | 0.018 | 0.009 | 0.170 |
| Total number of observations | 111156 | 1743 | 10217 |
| Number of reflections | 15173 | 290 | 1446 |
| <I/σ(I)> | 22.5 | 51.6 | 4.1 |
| Completeness [%] | 99.8 | 95.5 | 98.4 |
| Redundancy | 7.3 | 6 | 7.1 |
| CC(1/2) | 1.000 | 0.999 | 0.923 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.2 M Calcium acetate, 0.1 M Sodium cacodylate, 40% v/v PEG 300 |
