9F93

Complex of phenazine biosynthesis enzyme PhzF with 2-amino-5-(4-fluorophenyl)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	2022-02-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 32 2 1
Unit cell lengths	56.059, 56.059, 155.163
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.550 - 1.540
R-factor	0.1637
Rwork	0.163
R-free	0.18650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.815
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]	48.550	1.620
High resolution limit [Å]	1.540	1.540
Rmerge	0.073	1.184
Rmeas	0.076	1.220
Rpim	0.019	0.292
Number of reflections	43191	6214
<I/σ(I)>	18.8	2.5
Completeness [%]	100.0
Redundancy	16.8	17.3
CC(1/2)	1.000	0.811

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.4	293	2-amino-5-(4-fluorophenyl)benzoic acid (50 mM), sodium acetate (26 mM), PEG 4000 (27.6%), sodium citrate (pH 4.4, 71 mM)