5D3Y

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)	0.97890
Spacegroup name	P 21 21 21
Unit cell lengths	59.686, 72.859, 77.939
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.780 - 1.950
R-factor	0.21
Rwork	0.207
R-free	0.25840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5d3v
RMSD bond length	0.012
RMSD bond angle	1.556
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]	30.000	30.000	1.980
High resolution limit [Å]	1.950	5.280	1.950
Rmerge	0.101	0.041	0.462
Rmeas	0.116	0.047	0.536
Rpim	0.056	0.023	0.265
Total number of observations	102248
Number of reflections	25181
<I/σ(I)>	4.9
Completeness [%]	98.9	95.2	99.9
Redundancy	4.1	3.8	4
CC(1/2)		0.998	0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	294	Bis Tris, polypropylene glycol P400