9MAJ

The complex structure of Plpro and Frag642

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	2024-07-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 32 2 1
Unit cell lengths	81.938, 81.938, 134.812
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.870 - 2.650
R-factor	0.2267
Rwork	0.221
R-free	0.27930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.922
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]	50.000	2.700
High resolution limit [Å]	2.650	2.650
Rmerge	0.272	1.056
Rpim	0.110	0.421
Number of reflections	15364	737
<I/σ(I)>	6
Completeness [%]	97.3
Redundancy	7.5	7.8
CC(1/2)	0.892	0.361

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	1.6 M Sodium Malonate Dibasic Monohydrate pH 6.0