9M9K

The complex structure of Plpro and Frag464

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	82.430, 82.430, 134.860
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.210 - 1.870
R-factor	0.1976
Rwork	0.196
R-free	0.22550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.975
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]	41.210	1.920
High resolution limit [Å]	1.870	1.870
Rmerge	0.188	1.805
Rmeas	0.194	1.869
Rpim	0.046	0.482
Total number of observations	729457	47013
Number of reflections	44087	3154
<I/σ(I)>	9	1.8
Completeness [%]	99.0
Redundancy	16.5	14.9
CC(1/2)	0.994	0.784

Crystallization Conditions

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