9F94

Complex of phenazine biosynthesis enzyme PhzF with 2-amino-5-(3-hydroxyphenyl)benzoic 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	2021-11-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 32 2 1
Unit cell lengths	56.269, 56.269, 156.465
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.730 - 1.320
R-factor	0.1256
Rwork	0.124
R-free	0.14530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.989
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]	48.730	1.390
High resolution limit [Å]	1.320	1.320
Rmerge	0.042	0.716
Rmeas	0.043	0.739
Rpim	0.010	0.180
Number of reflections	68691	9783
<I/σ(I)>	29.1	2.9
Completeness [%]	99.9
Redundancy	19	16.3
CC(1/2)	1.000	0.909

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	2-amino-5-(3-hydroxyphenyl)benzoic acid (50 mM), sodium formate (20 mM), ammonium acetate (20 mM), trisodium citrate (20 mM), sodium potassium L-tartrate (20 mM), sodium oxamate (20 mM), PEG 1000 (12.5%), PEG 3350 (12.5%), (R,S)-2-methyl-2,4-pentanediol (12.5%), MES/imidazole (pH 6.5, 72 mM)