9M96

The complex structure of Plpro and Frag164

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	2024-07-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9793
Spacegroup name	P 32 2 1
Unit cell lengths	82.350, 82.350, 134.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.170 - 1.780
R-factor	0.1919
Rwork	0.191
R-free	0.21610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.995
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASES
Refinement software	PHENIX ((1.19_4092: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.170	1.830
High resolution limit [Å]	1.780	1.780
Rmerge	0.188	1.262
Rmeas	0.193	1.295
Rpim	0.044	0.287
Total number of observations	971118	74963
Number of reflections	51108	3739
<I/σ(I)>	12	3.1
Completeness [%]	99.9
Redundancy	19	20
CC(1/2)	0.997	0.550

Crystallization Conditions

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