9M91

The complex structure of Plpro and Frag29

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	83.340, 83.340, 132.340
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	72.170 - 2.300
R-factor	0.1917
Rwork	0.189
R-free	0.22510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.825
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]	72.170	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.164	1.726
Rmeas	0.173
Rpim	0.056	0.441
Number of reflections	24255	2332
<I/σ(I)>	14.3
Completeness [%]	99.9
Redundancy	18.2	19.2
CC(1/2)	0.999	0.979

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6	277	1.6 M Sodium Malonate Dibasic Monohydrate