4LZR

Crystal Structure of BRD4(1) bound to Colchicine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-08-15
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54187
Spacegroup name	P 21 21 21
Unit cell lengths	39.360, 43.400, 79.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.705 - 1.850
R-factor	0.206
Rwork	0.204
R-free	0.24340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.386
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.710	29.295	1.630
High resolution limit [Å]	1.550	4.890	1.550
Rmerge		0.012	0.012
Total number of observations		2805	9801
Number of reflections	10511
<I/σ(I)>	7.9	12.4	0.6
Completeness [%]	89.3	97.8	90.1
Redundancy	4.1	3.9	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.2	293	1.4 M Na-K-phosphate, pH 8.2, VAPOR DIFFUSION, temperature 293K