9KGO

Crystal structure of the PIN1 and fragment 19 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	2024-06-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 31 2 1
Unit cell lengths	68.640, 68.640, 80.940
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	21.650 - 1.620
R-factor	0.194
Rwork	0.193
R-free	0.20730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.077
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]	21.650	1.660
High resolution limit [Å]	1.620	1.620
Rmerge	0.312	1.997
Rmeas	0.321	2.051
Rpim	0.073	0.465
Total number of observations	542935	40211
Number of reflections	28444	2082
<I/σ(I)>	12.9	1.8
Completeness [%]	99.6
Redundancy	19.1	19.3
CC(1/2)	0.997	0.559

Crystallization Conditions

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