8HX6

Crystal structure of 4-amino-4-deoxychorismate synthase from Streptomyces venezuelae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	C 2 2 21
Unit cell lengths	98.670, 171.405, 160.838
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.260 - 2.140
R-factor	0.22662
Rwork	0.224
R-free	0.27161
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qdl
RMSD bond length	0.002
RMSD bond angle	1.197
Data reduction software	XDS (Feb 5, 2021)
Data scaling software	XDS (Feb 5, 2021)
Phasing software	MOLREP (11.7)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.270	2.220
High resolution limit [Å]	2.140	2.140
Rpim	0.023	0.581
Number of reflections	74670	7224
<I/σ(I)>	18.99	1.29
Completeness [%]	99.8	98.1
Redundancy	6.8	6.7
CC(1/2)	0.999	0.640

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	51% (v/v) Tacsimate, 0.1 M Bis-tris propane (pH 7.0)