9MAF

The crystal structure of Plpro and Frag 550

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	2024-07-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 32 2 1
Unit cell lengths	82.650, 82.650, 134.550
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.500 - 2.040
R-factor	0.1836
Rwork	0.182
R-free	0.21640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.836
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]	39.500	2.090
High resolution limit [Å]	1.990	2.040
Rmerge	0.410	1.303
Rmeas	0.422	1.338
Rpim	0.098	0.303
Total number of observations		48233
Number of reflections	36630	2507
<I/σ(I)>	6.7	3.3
Completeness [%]	100.0
Redundancy	18.9	19.2
CC(1/2)	0.984	0.493

Crystallization Conditions

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