6VAJ

Crystal Structure Analysis of human PIN1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-17
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	P 43 21 2
Unit cell lengths	48.960, 48.960, 137.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.836 - 1.420
R-factor	0.1933
Rwork	0.192
R-free	0.21430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pin
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.840	39.850	1.440
High resolution limit [Å]	1.420	3.850	1.420
Rmeas	0.047	0.027	1.637
Rpim	0.018	0.011	0.640
Total number of observations	200292	10183	10054
Number of reflections	32304	1762	1594
<I/σ(I)>	17.6	45.6	1.3
Completeness [%]	99.5	96.9	99.7
Redundancy	6.2	5.8	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100mM HEPES-7.5, 3.0M ammonium sulfate