3Q2F

Crystal Structure of the bromodomain of human BAZ2B in complex with a triazolo 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	2010-12-06
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.542
Spacegroup name	C 2 2 21
Unit cell lengths	82.310, 96.350, 57.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.290 - 2.060
R-factor	0.1964
Rwork	0.194
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3g0l
RMSD bond length	0.015
RMSD bond angle	1.596
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	62.583	33.417	2.170
High resolution limit [Å]	2.060	6.510	2.060
Rmerge		0.088	0.748
Rmeas		0.096	0.813
Rpim		0.038	0.314
Total number of observations		3071	13773
Number of reflections	14455
<I/σ(I)>	6.4	12	2
Completeness [%]	100.0	98.8	100
Redundancy	6.8	6	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	24% PEG 1K 20% glycerol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K