5TF2

CRYSTAL STRUCTURE OF THE WD40 DOMAIN OF THE HUMAN PROLACTIN REGULATORY ELEMENT-BINDING PROTEIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.92045
Spacegroup name	P 64 2 2
Unit cell lengths	160.708, 160.708, 83.014
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.800
R-factor	0.19
Rwork	0.189
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1erj
RMSD bond length	0.007
RMSD bond angle	1.305
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	BALBES
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.900
High resolution limit [Å]	2.800	6.030	2.800
Rmerge	0.107	0.046	0.779
Rmeas	0.111
Rpim	0.031
Total number of observations	198545
Number of reflections	16070
<I/σ(I)>	6.3
Completeness [%]	100.0	99.9	100
Redundancy	12.4	11.1	12.7
CC(1/2)		0.999	0.898

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	PREB protein was mixed with elastase at 1:1000 (w/w) ratio before setting up crystallization. Crystals were grown at 293 K using the sitting drop method by mixing 0.5 uL protein with 0.5 uL well solution consisting of 1.4M Malonate, pH 7.0. The crystals were cryoprotected by immersion in Paratone.