29US

KAT6A SURFACE MUTANT IN COMPLEX WITH QUINOLINE INHIBITOR COMPOUND-1

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	2018-09-07
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.0332
Spacegroup name	P 1
Unit cell lengths	37.033, 58.910, 64.925
Unit cell angles	93.02, 91.25, 102.89

Refinement procedure

Resolution	34.190 - 2.700
R-factor	0.23738
Rwork	0.235
R-free	0.30940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.869
Data reduction software	XDS (VERSION Jan 26, 2018)
Data scaling software	pointless (1.11.11)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.250	2.860
High resolution limit [Å]	2.700	2.700
Rmerge	0.137	0.598
Rmeas	0.194	0.580
Number of reflections	13855	2261
<I/σ(I)>	6.7	1.44
Completeness [%]	94.1	94.6
Redundancy	1.8
CC(1/2)	0.975	0.580

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	PEG 3350, sodium acetate, HEPES; glycerol as cryo protectant