9M9J

The complex structure of Plpro and Frag443

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
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	82.210, 82.210, 135.820
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.200 - 2.010
R-factor	0.2082
Rwork	0.207
R-free	0.23740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.896
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]	38.200	2.060
High resolution limit [Å]	2.010	2.010
Rmerge	0.338	0.792
Rmeas	0.348	0.813
Rpim	0.080	0.182
Total number of observations	685785	52690
Number of reflections	35980	2630
<I/σ(I)>	4.2	3.1
Completeness [%]	99.8
Redundancy	19.1	20
CC(1/2)	0.968	0.777

Crystallization Conditions

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