9M92

The complex structure of Plpro and Frag33

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	2024-07-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9793
Spacegroup name	P 32 2 1
Unit cell lengths	84.860, 84.860, 133.040
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.300 - 2.200
R-factor	0.1871
Rwork	0.186
R-free	0.20920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.923
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]	30.660	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.175	3.972
Rmeas	0.180	4.083
Rpim	0.042	0.937
Total number of observations	516983	33016
Number of reflections	27833	1756
<I/σ(I)>	17.8	1.3
Completeness [%]	96.6
Redundancy	18.6	18.8
CC(1/2)	0.998	0.804

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		277	1.6 M Sodium Malonate Dibasic Monohydrate