6YAT
Crystal structure of STK4 (MST1) in complex with compound 6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-27 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.03320 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 111.680, 111.680, 171.486 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.000 - 2.580 |
R-factor | 0.2269 |
Rwork | 0.225 |
R-free | 0.25850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3com |
RMSD bond length | 0.008 |
RMSD bond angle | 1.094 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.3) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.000 | 47.950 | 2.720 |
High resolution limit [Å] | 2.580 | 8.160 | 2.580 |
Rmerge | 0.077 | 0.044 | 0.935 |
Rmeas | 0.088 | 0.048 | 1.070 |
Rpim | 0.031 | 0.018 | 0.374 |
Number of reflections | 34920 | 1249 | 5013 |
<I/σ(I)> | 15 | ||
Completeness [%] | 100.0 | 99.1 | 100 |
Redundancy | 8 | 6.7 | 8.1 |
CC(1/2) | 0.998 | 0.997 | 0.824 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 11 | 293.15 | 0.6 M ammonium sulfate, 0.1 M lithium sulfate and 0.1 M CAPS, pH 11.0 |