6Z8A

Outer membrane FoxA in complex with nocardamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 32 2 1
Unit cell lengths	95.222, 95.222, 178.651
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	82.460 - 2.950
R-factor	0.2365
Rwork	0.235
R-free	0.27020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6i98
RMSD bond length	0.012
RMSD bond angle	2.056
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.465	3.100
High resolution limit [Å]	2.950	2.950
Rmerge	0.180	2.580
Rmeas	0.185
Number of reflections	14984	750
<I/σ(I)>	12.8	1.4
Completeness [%]	94.0	99
Redundancy	20
CC(1/2)	0.990	0.697

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	288	1.8M Ammonium sulfate, 0.1M HEPES, 0.3% octyl glucopyranoside