9MA9

The complex structure of Plpro and Frag762

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL18U
Synchrotron site	NFPSS
Beamline	BL18U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 32 2 1
Unit cell lengths	81.460, 81.460, 134.640
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.990 - 2.200
R-factor	0.1866
Rwork	0.184
R-free	0.21980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.883
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]	38.990	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.301	2.267
Rmeas	0.310	2.328
Rpim	0.072	0.529
Total number of observations	501475	37141
Number of reflections	26913	1942
<I/σ(I)>	7.8	1.7
Completeness [%]	100.0
Redundancy	18.6	19.1
CC(1/2)	0.994	0.822

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		277	1.6 M Sodium Malonate Dibasic Monohydrate pH 6.0