5D3X

Crystal Structure of the P-Rex1 PH domain with Inositol-(1,3,4,5)-Tetrakisphosphate Bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	110
Detector technology	CCD
Collection date	2014-03-23
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9788
Spacegroup name	P 21 21 21
Unit cell lengths	53.742, 72.179, 81.995
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.961 - 1.690
R-factor	0.1775
Rwork	0.176
R-free	0.21440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5d3v
RMSD bond length	0.011
RMSD bond angle	1.444
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.2)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.720
High resolution limit [Å]	1.690	4.590	1.690
Rmerge	0.068	0.038	0.392
Rmeas	0.076	0.043	0.438
Rpim	0.033	0.019	0.192
Total number of observations	176205
Number of reflections	36150
<I/σ(I)>	10.4
Completeness [%]	99.1	92.5	100
Redundancy	4.9	4.8	4.8
CC(1/2)		0.998	0.894

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	294	HEPES, Jeffamine ED-2001 pH 7