9F95

Complex of phenazine biosynthesis enzyme PhzF with 2-amino-3-hydroxy-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	2022-04-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 32 2 1
Unit cell lengths	56.257, 56.257, 156.409
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.720 - 1.460
R-factor	0.1413
Rwork	0.140
R-free	0.16770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.950
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]	48.720	1.540
High resolution limit [Å]	1.460	1.460
Rmerge	0.064	0.971
Rmeas	0.066	0.997
Rpim	0.015	0.226
Number of reflections	50874	7307
<I/σ(I)>	20	2.7
Completeness [%]	100.0	100
Redundancy	18.9	19.2
CC(1/2)	1.000	0.892

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	2-amino-3-hydroxy-5-(3-hydroxyphenyl)benzoic acid (42 mM), propan-2-ol (19%), glycerol (5%), PEG 4000 (19%), sodium citrate (pH 5.6, 95 mM)