5TF5
CRYSTAL STRUCTURE OF HUMAN KAT-2 IN COMPLEX WITH A REVERSIBLE INHIBITOR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-06-30 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 88.883, 99.275, 107.923 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.126 - 1.807 |
R-factor | 0.2198 |
Rwork | 0.219 |
R-free | 0.24530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5eun |
RMSD bond length | 0.006 |
RMSD bond angle | 0.843 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: 2015)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.126 | 1.872 |
High resolution limit [Å] | 1.807 | 1.807 |
Rmerge | 0.057 | 0.333 |
Number of reflections | 87159 | |
<I/σ(I)> | 9.74 | 1.46 |
Completeness [%] | 98.0 | 94 |
Redundancy | 2 | 2 |
CC(1/2) | 0.980 | 0.826 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | Protein (1 uL) at a concentration of 7 mg/mL were mixed with an equal volume of a reservoir solution containing 200 mM NaCl, 0.1M NaCitrate pH 5.6, 24% PEG4K, 1.5mM DDT and equilibrated against 1 mL of a reservoir solution at 293 K. |