8FHL

Structure of pyruvate dehydrogenase phosphatase regulatory subunit neoepitope presented by H2-Dd

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	2022-02-23
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.979180
Spacegroup name	C 2 2 21
Unit cell lengths	47.091, 86.359, 211.581
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.343 - 2.194
Rwork	0.210
R-free	0.24790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8d5f
RMSD bond length	0.006
RMSD bond angle	1.392
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.343	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.187
Rmeas	0.195
Rpim	0.055
Number of reflections	29908	2215
<I/σ(I)>	10.3
Completeness [%]	99.8
Redundancy	13.1
CC(1/2)	0.997	0.367

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.2 M sodium isothiocyanate, 20% PEG4000