9M94

The complex structure of Plpro and Frag102

This is a non-PDB format compatible entry.

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	81.670, 81.670, 134.990
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.960 - 1.740
R-factor	0.1969
Rwork	0.196
R-free	0.22190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.967
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]	37.960	1.790
High resolution limit [Å]	1.740	1.740
Rmerge	0.195	1.245
Rmeas	0.201	1.281
Rpim	0.046	0.300
Total number of observations	1014320	70396
Number of reflections	54094	3941
<I/σ(I)>	11.5	2.6
Completeness [%]	99.9
Redundancy	18.8	17.9
CC(1/2)	0.997	0.553

Crystallization Conditions

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