6I81

Crystal Structure of the second bromodomain of BRD2 in complex with RT56

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.92819
Spacegroup name	I 41 2 2
Unit cell lengths	127.297, 127.297, 40.594
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.330 - 1.740
R-factor	0.1727
Rwork	0.172
R-free	0.19560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3oni
RMSD bond length	0.015
RMSD bond angle	1.978
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.5.7)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.333	29.333	1.830
High resolution limit [Å]	1.740	5.500	1.740
Rmerge		0.028	0.486
Rmeas	0.062	0.030	0.510
Rpim	0.019	0.009	0.152
Total number of observations	185563
Number of reflections	17453	630	2499
<I/σ(I)>	23.6	19.4	1.6
Completeness [%]	100.0	99.4	99.9
Redundancy	10.6	9.8	11.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	30% PEG1000 0.1M MMT pH 7.0