5D3W

Crystal Structure of the P-Rex1 PH domain with Sulfate 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	2014-02-05
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.078
Spacegroup name	P 21 21 21
Unit cell lengths	54.318, 72.526, 83.527
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.192 - 1.852
R-factor	0.1742
Rwork	0.172
R-free	0.21550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pz1
RMSD bond length	0.011
RMSD bond angle	1.341
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.1)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.880
High resolution limit [Å]	1.850	5.020	1.850
Rmerge	0.063	0.038	0.555
Total number of observations	106511
Number of reflections	27193
<I/σ(I)>	14.8
Completeness [%]	94.9	84	96.5
Redundancy	3.9	4	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.7	294	Bis Tris, Ammonium sulfate, PEG 3350