8TYU

High-resolution crystal structure of the SPX domain of XPR1 at 1.4 angstroms

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	56.290, 47.798, 71.682
Unit cell angles	90.00, 107.15, 90.00

Refinement procedure

Resolution	35.750 - 1.400
R-factor	0.16243
Rwork	0.162
R-free	0.19108
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.342
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.320
High resolution limit [Å]	1.300	3.530	1.300
Rmerge	0.052	0.045	0.620
Rmeas	0.057	0.049	0.690
Rpim	0.024	0.020	0.292
Total number of observations	465906
Number of reflections	87185	4550	3574
<I/σ(I)>	12.2
Completeness [%]	97.2	97.8	80
Redundancy	5.3	5.7	3.9
CC(1/2)	0.992	0.990	0.876

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	6% PEG 3350, 30% Ethylene Glycol, 0.1 M Sodium Citrate, 0.1 M MgCl2, pH 6.0.