4LC2

Crystal structure of the bromodomain of human BRPF1B

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	2013-06-14
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	60.835, 60.835, 63.679
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.000 - 1.650
R-factor	0.1767
Rwork	0.174
R-free	0.21980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Ensemble of PDB ENTRIES 1DVV 1x0j 3dai 3hmh 2grc 2oo1 2oss 2ouo 3d7c 3dwy
RMSD bond length	0.016
RMSD bond angle	1.615
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.000	19.000	1.740
High resolution limit [Å]	1.650	5.220	1.650
Rmerge	0.026	0.019	0.135
Number of reflections	16793
<I/σ(I)>	40.1	21.7	5.8
Completeness [%]	99.7	97.6	98.3
Redundancy	6.7	6.4	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	277	20% PEG3350 0.1 M bis tris propane, 10% ethylene glycol 0.15 M sodium nitrate, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K