3P1C

Crystal structure of the bromodomain of human CREBBP in complex with acetylated lysine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-07-13
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.542
Spacegroup name	H 3
Unit cell lengths	121.687, 121.687, 39.955
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.830 - 1.820
R-factor	0.1684
Rwork	0.166
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dwy
RMSD bond length	0.016
RMSD bond angle	1.509
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.2)
Phasing software	PHASER (2.1.2)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	31.830	31.830	1.920
High resolution limit [Å]	1.600	5.760	1.820
Rmerge	0.055	0.034	0.434
Total number of observations		1732	7630
Number of reflections	19778
<I/σ(I)>	10.7	14.3	1.7
Completeness [%]	100.0	99.3	100
Redundancy	2.7	2.8	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.2M KSCN 25% PEG3350 5% EtGly, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K