6J3P

Crystal structure of the human GCN5 bromodomain in complex with compound (R,R)-36n

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97930
Spacegroup name	P 21 21 21
Unit cell lengths	45.572, 73.092, 76.222
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.114 - 1.598
R-factor	0.1561
Rwork	0.154
R-free	0.18110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mlj
RMSD bond length	0.017
RMSD bond angle	1.468
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.14rc3_3199))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.660
High resolution limit [Å]	1.598	1.600
Rmerge	0.099
Number of reflections	34345	34345
<I/σ(I)>	30.167
Completeness [%]	99.9
Redundancy	12.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Ammonium acetate, 0.1 M Tris pH 8.5, 25% w/v Polyethylene glycol 3,350