6SWQ

N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH iBET-BD2 (GSK046)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2017-08-30
Detector	RIGAKU
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	37.133, 44.059, 78.881
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.440 - 1.601
Rwork	0.156
R-free	0.18410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.149
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.060	1.690
High resolution limit [Å]	1.600	1.600
Number of reflections	15277	1228
<I/σ(I)>	28.6	8.5
Completeness [%]	87.3	49.1
Redundancy	4.4	2.8
CC(1/2)	0.996	0.701

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	25%w/v PEG1500, 0.1M SPG buffer, pH 6