29UT

KAT8 MUTANT (KAT6A SURROGATE, MYST-CRYST) IN COMPLEX WITH KAT6A INHIBITOR COMPOUND 2

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	46.269, 57.355, 121.139
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.646 - 1.400
Rwork	0.129
R-free	0.17810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.999
Data reduction software	XDS (VERSION Mar 15, 2019)
Data scaling software	pointless (1.11.11)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.270	1.480
High resolution limit [Å]	1.400	1.400
Rmerge	0.057	1.246
Rmeas	0.062	1.355
Number of reflections	64350	10236
<I/σ(I)>	15.7	1.25
Completeness [%]	99.9	99.8
Redundancy	6.5
CC(1/2)	0.999	0.637

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG, HEPES