5U7G

Crystal Structure of the Catalytic Core of CBP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-10-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.03320
Spacegroup name	C 1 2 1
Unit cell lengths	214.173, 87.170, 114.977
Unit cell angles	90.00, 109.68, 90.00

Refinement procedure

Resolution	47.904 - 2.401
R-factor	0.2555
Rwork	0.254
R-free	0.28310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bhw
RMSD bond length	0.013
RMSD bond angle	1.067
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.400
Rmerge	0.112
Number of reflections	77429
<I/σ(I)>	12.7
Completeness [%]	99.8
Redundancy	5
CC(1/2)	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG 3350, Tri-sodium citrate