8XHX

The complex structure of PaBcmG and its natural substrate

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	43.835, 77.512, 86.837
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.566 - 1.610
R-factor	0.156701050716
Rwork	0.155
R-free	0.18103
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8xht
RMSD bond length	0.006
RMSD bond angle	0.899
Data reduction software	XDS (Version February 5, 2021)
Data scaling software	XDS (Version February 5, 2021)
Phasing software	PHASER (1.11.1_2575)
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.570	1.640
High resolution limit [Å]	1.610	1.610
Rmerge	0.090	1.634
Rpim	0.026	0.643
Number of reflections	39138	1924
<I/σ(I)>	20.3	1.7
Completeness [%]	99.9	100
Redundancy	12.9	13.3
CC(1/2)	0.999	0.629

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M MES pH 6.5, 1.6 M magnesium sulfate