7F3S

Crystal structure of Sth1 Bromodomain in complex with H3K14bz peptide

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	2019-01-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	P 1
Unit cell lengths	23.621, 33.206, 42.449
Unit cell angles	88.14, 83.72, 70.48

Refinement procedure

Resolution	25.190 - 1.400
R-factor	0.1647
Rwork	0.164
R-free	0.18200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6kmj
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8.2)

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	0.053	0.038	0.321
Rmeas	0.057	0.041	0.348
Rpim	0.021	0.015	0.133
Total number of observations	154912
Number of reflections	22042	1143	1054
<I/σ(I)>	8.1
Completeness [%]	92.5	95.8	90.2
Redundancy	7	7.3	6.2
CC(1/2)		0.998	0.946

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	289	25% (w/v) PEG 1500, 0.1M MIB/Hydrochloric acid