4UYF

N-Terminal bromodomain of Human BRD2 with I-BET726 (GSK1324726A)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND
Synchrotron site	Diamond
Temperature [K]	100
Collection date	2008-07-01
Spacegroup name	C 1 2 1
Unit cell lengths	118.064, 55.597, 67.266
Unit cell angles	90.00, 93.99, 90.00

Refinement procedure

Resolution	67.120 - 1.600
R-factor	0.18079
Rwork	0.179
R-free	0.20703
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.014
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.120	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.050	0.330
Number of reflections	49073
<I/σ(I)>	15.6	2.4
Completeness [%]	85.7	64.6
Redundancy	3.2	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5	293	0.1M BIS TRIS PH 5.5, 18% PEG3350, 0.2M (NH4)2SO4 20C