5E7D

Crystal Structure of the fifth bromodomain of human PB1 in complex with a hydroxyphenyl ligand

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	2011-03-29
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.52
Spacegroup name	P 1 21 1
Unit cell lengths	40.790, 135.664, 56.045
Unit cell angles	90.00, 90.60, 90.00

Refinement procedure

Resolution	23.800 - 1.870
R-factor	0.2026
Rwork	0.201
R-free	0.24830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.364
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	23.819	23.819	1.970
High resolution limit [Å]	1.866	5.910	1.870
Rmerge	0.069	0.040	0.632
Rmeas	0.079
Rpim	0.037	0.024	0.369
Total number of observations	196359	4703	21051
Number of reflections	44203
<I/σ(I)>	12.1	25.8	2
Completeness [%]	87.7	85.3	76.7
Redundancy	4.4	3.4	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.2M Na2SO4 20w/v PEG_3350 10v/v ethylene_glycol