6KMJ

Crystal structure of Sth1 bromodomain in complex with H3K14Ac

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9779
Spacegroup name	C 2 2 21
Unit cell lengths	23.943, 61.933, 153.151
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.708 - 1.400
R-factor	0.166
Rwork	0.165
R-free	0.18840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2grc
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.420
High resolution limit [Å]	1.400	3.800	1.400
Rmerge	0.136	0.093	0.663
Rmeas	0.146	0.100	0.701
Rpim	0.052	0.036	0.221
Total number of observations	179344
Number of reflections	21820	1290	1021
<I/σ(I)>	5.5
Completeness [%]	94.3	99.2	92.4
Redundancy	8.2	7.6	9.1
CC(1/2)		0.994	0.861

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	1% w/v tryptone, 1 mM sodium azide, 50 mM HEPES sodium pH 7.0, 20% w/v PEG 3350