9MAC

The complex structure of Plpro and Frag746

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	82.000, 82.000, 134.850
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.450 - 1.990
R-factor	0.1791
Rwork	0.178
R-free	0.20430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.960
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]	30.450	2.040
High resolution limit [Å]	1.990	1.990
Rmerge	0.196	2.237
Rmeas	0.202	2.296
Rpim	0.045	0.514
Total number of observations	718760	53350
Number of reflections	36676	2693
<I/σ(I)>	14.6	1.8
Completeness [%]	99.9
Redundancy	19.6	19.8
CC(1/2)	0.999	0.626

Crystallization Conditions

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