4A9L

N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1,3-DIMETHYL-6-(MORPHOLINE- 4-SULFONYL)-1,2,3,4-TETRAHYDROQUINAZOLIN-2-ONE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2010-09-02
Detector	RIGAKU SATURN A200
Spacegroup name	P 21 21 21
Unit cell lengths	37.594, 42.899, 79.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.030 - 1.600
R-factor	0.17931
Rwork	0.178
R-free	0.20600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.126
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.030	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.040	0.310
Number of reflections	16542
<I/σ(I)>	17.6	2.2
Completeness [%]	94.1	67.2
Redundancy	4.4	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		20-30% PEG 3350, 0.2 M NACL, 0.1 HEPES PH 8.5, 10% ETHYLGLYCOL.