9F96

Complex of phenazine biosynthesis enzyme PhzF with 2-amino-3-ethoxybenzoic acid

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 42 21 2
Unit cell lengths	76.781, 76.781, 101.379
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.210 - 1.270
R-factor	0.129
Rwork	0.128
R-free	0.14710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.005
Data reduction software	XDS (Jan 10, 2022)
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.210	1.340
High resolution limit [Å]	1.270	1.270
Rmerge	0.043	0.861
Rmeas	0.044	0.881
Rpim	0.009	0.184
Number of reflections	79783	11402
<I/σ(I)>	34.5	3.1
Completeness [%]	99.8	99.2
Redundancy	24.9	22.3
CC(1/2)	1.000	0.948

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	2-amino-3-ethoxybenzoic acid (42 mM), sodium acetate (17 mM), glycerol (15%), PEG 8000 (25.5%), sodium cacodylate (pH 6.5, 71 mM)