9JZG

Crystal structure of the PIN1 and fragment 12 complex.

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	P 31 2 1
Unit cell lengths	69.060, 69.060, 79.020
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.530 - 1.760
R-factor	0.2128
Rwork	0.210
R-free	0.23680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.904
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19_4092: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.530	1.810
High resolution limit [Å]	1.760	1.760
Rmerge	0.139	1.791
Rmeas	0.143	1.843
Rpim	0.034	0.431
Total number of observations	382784	28740
Number of reflections	21246	1605
<I/σ(I)>	19.3	1.7
Completeness [%]	96.0
Redundancy	18	17.9
CC(1/2)	0.999	0.876

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		277	2.6M AMMONIUM SULPHATE, 0.1M HEPES BUFFER PH7.5, 1% PEG 400