9MAB

The complex structure of Plpro and Frag747

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	2024-07-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 32 2 1
Unit cell lengths	82.800, 82.800, 133.740
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.850 - 2.180
R-factor	0.1873
Rwork	0.184
R-free	0.22770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.834
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]	35.850	2.240
High resolution limit [Å]	2.180	2.180
Rmerge	0.210	2.525
Rmeas	0.216	2.590
Rpim	0.050	0.574
Total number of observations	532973	41215
Number of reflections	28327	2060
<I/σ(I)>	9	1.5
Completeness [%]	100.0
Redundancy	18.8	20
CC(1/2)	0.996	0.755

Crystallization Conditions

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