9M93

The complex structure of Plpro and Frag44

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	82.830, 82.830, 136.090
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.340 - 1.840
R-factor	0.2631
Rwork	0.262
R-free	0.28300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.101
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]	38.340	1.890
High resolution limit [Å]	1.840	1.840
Rmerge	0.426	1.686
Rmeas	0.439	1.729
Rpim	0.103	0.384
Total number of observations	794148	69088
Number of reflections	43743	3464
<I/σ(I)>	9.3	1.9
Completeness [%]	91.9
Redundancy	18.2	19.9
CC(1/2)	0.994	0.606

Crystallization Conditions

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