29UU

KAT8 MUTANT (KAT6A SURROGATE, MYST-CRYST) IN COMPLEX WITH KAT6A INHIBITOR Example-41

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	46.456, 57.724, 121.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.377 - 1.300
Rwork	0.124
R-free	0.16080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
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]	46.460	1.380
High resolution limit [Å]	1.300	1.300
Rmerge	0.056	0.827
Rmeas	0.064	0.943
Number of reflections	79136	12418
<I/σ(I)>	11.5	1.3
Completeness [%]	97.7	96.1
Redundancy	4.4	4.2
CC(1/2)	0.998	0.605

Crystallization Conditions

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