29TM

KAT8 MUTANT (KAT6A SURROGATE, MYST-CRYST) IN COMPLEX WITH KAT6A INHIBITOR BAY-7728

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	46.150, 59.169, 119.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.070 - 1.700
Rwork	0.177
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.832
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]	43.070	1.800
High resolution limit [Å]	1.700	1.700
Rmerge	0.075	0.907
Rmeas	0.085	1.029
Number of reflections	36622	5688
<I/σ(I)>	12.7	1.5
Completeness [%]	98.8	96.7
Redundancy	4.4	4.4
CC(1/2)	0.999	0.695

Crystallization Conditions

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