9J6E

Crystal structure of BioZ from Agrobacterium tumefaciens in complex with galutaryl-CoA

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	2022-08-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	59.681, 126.691, 84.856
Unit cell angles	90.00, 102.91, 90.00

Refinement procedure

Resolution	53.540 - 2.150
R-factor	0.1925
Rwork	0.191
R-free	0.23080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.237
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.260	2.260
High resolution limit [Å]	2.150	2.150
Rmerge	0.152	1.138
Rmeas	0.164	1.231
Rpim	0.062	0.465
Total number of observations	440854	53582
Number of reflections	64224	7893
<I/σ(I)>	10.6	2
Completeness [%]	95.6
Redundancy	6.9	6.8
CC(1/2)	0.997	0.727

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	20% v/v Glycerol, 10% w/v PEG 4000, and 100 mM MES monohydrate, pH 6.5