9F92

Complex of phenazine biosynthesis enzyme PhzF with 2-amino-3-nitrobenzoic 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	2021-08-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 32 2 1
Unit cell lengths	56.127, 56.127, 155.789
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	51.930 - 1.320
R-factor	0.1219
Rwork	0.121
R-free	0.14600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.935
Data reduction software	XDS (Jun 30, 2023)
Data scaling software	Aimless (0.7.9)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.930	1.390
High resolution limit [Å]	1.320	1.320
Rmerge	0.147	1.743
Rmeas	0.152	1.803
Rpim	0.038	0.458
Number of reflections	67515	9725
<I/σ(I)>	10.6	2.4
Completeness [%]	100.0
Redundancy	15.5	15.5
CC(1/2)	0.997	0.801

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	2-amino-3-nitrobenzoic acid (50 mM), lithium sulfate (200 mM), PEG 3350 (25%), Bis-TRIS (pH 5,100 mM)