9VHT

The crystal structure of PLPro

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-01-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 32 2 1
Unit cell lengths	81.270, 81.270, 135.180
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.600 - 1.820
R-factor	0.18
Rwork	0.179
R-free	0.20530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.977
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]	26.600	1.870
High resolution limit [Å]	1.820	1.820
Rmerge	0.140	1.468
Rmeas	0.144	1.536
Rpim	0.033	0.436
Total number of observations	861505	39731
Number of reflections	46888	3405
<I/σ(I)>	20	1.7
Completeness [%]	99.7
Redundancy	18.4	11.7
CC(1/2)	0.999	0.499

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	1.6 M sodium malonate dibasic monohydrate at pH 6.0