9M9C

The complex structure of Plpro and Frag368

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	2024-07-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9793
Spacegroup name	P 32 2 1
Unit cell lengths	82.190, 82.190, 137.000
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.860 - 1.910
R-factor	0.1791
Rwork	0.178
R-free	0.19260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.970
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]	30.860	1.960
High resolution limit [Å]	1.910	1.910
Rmerge	0.097	2.280
Rmeas	0.100	2.339
Rpim	0.023	0.517
Total number of observations	814276	62901
Number of reflections	42261	3090
<I/σ(I)>	19.5	1.5
Completeness [%]	100.0
Redundancy	19.3	20.4
CC(1/2)	1.000	0.615

Crystallization Conditions

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