5D3V

Crystal Structure of the P-Rex1 PH domain with Citrate 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	54.080, 72.424, 82.526
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	0.007
RMSD bond angle	0.978
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	0.054	0.028	0.359
Total number of observations	111287
Number of reflections	27997
<I/σ(I)>	11.9
Completeness [%]	99.5	96	97.8
Redundancy	4	3.8	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	294	Sodium citrate, PEG 8000