9KX7

Crystal structure of the PIN1 and fragment 34 complex.

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL18U
Synchrotron site	NFPSS
Beamline	BL18U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.96
Spacegroup name	P 31 2 1
Unit cell lengths	69.707, 69.707, 79.228
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.410 - 1.530
R-factor	0.1876
Rwork	0.187
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.844
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.19_4092: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.560
High resolution limit [Å]	1.530	4.150	1.530
Rmerge	0.090	0.069	0.355
Rmeas	0.092	0.071	0.366
Rpim	0.021	0.017	0.089
Total number of observations	659002
Number of reflections	34153	1856	1701
<I/σ(I)>	9.1
Completeness [%]	100.0	100	100
Redundancy	19.3	17.6	16.9
CC(1/2)	0.999	0.998	0.992

Crystallization Conditions

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