4LYS

Crystal Structure of BRD4(1) bound to Colchiceine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-28
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54187
Spacegroup name	P 21 21 2
Unit cell lengths	41.047, 108.072, 30.464
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.340 - 1.830
R-factor	0.2185
Rwork	0.216
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.314
Data scaling software	SCALA (3.3.20)
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.047	41.047	1.930
High resolution limit [Å]	1.830	5.800	1.830
Rmerge		0.028	0.409
Total number of observations		1218	4367
Number of reflections	12331
<I/σ(I)>	9.6	26.2	1.9
Completeness [%]	98.7	94.1	97.3
Redundancy	3	2.8	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	bis tris, PEG 3350, NaCl, pH 6.5, vapor diffusion, temperature 293K