6KMB

Crystal structure of Sth1 bromodomain

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	2016-05-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	P 61
Unit cell lengths	108.855, 108.855, 110.928
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.631 - 2.400
R-factor	0.2006
Rwork	0.198
R-free	0.24230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2grc
RMSD bond length	0.004
RMSD bond angle	0.610
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	35.600	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.080	0.034	0.713
Rmeas	0.084	0.036	0.751
Rpim	0.026	0.011	0.234
Total number of observations	299963
Number of reflections	29241	1510	1442
<I/σ(I)>	7.9
Completeness [%]	100.0	99.9	100
Redundancy	10.3	10	10.2
CC(1/2)		0.999	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.2 M sodium formate, pH 7.0, 20% w/v PEG 3350