9MAL

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	82.080, 82.080, 134.440
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.380 - 2.150
R-factor	0.1838
Rwork	0.181
R-free	0.22050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.945
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]	30.380	2.210
High resolution limit [Å]	2.150	2.150
Rmerge	0.335	2.321
Rmeas	0.345	2.381
Rpim	0.081	0.530
Total number of observations	549540	42313
Number of reflections	29184	2114
<I/σ(I)>	6.5	1.5
Completeness [%]	100.0
Redundancy	18.8	20
CC(1/2)	0.987	0.760

Crystallization Conditions

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