8CN7

Pa.FabF-C164Q in complex with platencin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-26
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.976250
Spacegroup name	P 1 21 1
Unit cell lengths	71.001, 64.779, 84.586
Unit cell angles	90.00, 106.30, 90.00

Refinement procedure

Resolution	50.690 - 2.100
R-factor	0.17343
Rwork	0.171
R-free	0.22445
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.480
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.780	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.071	0.422
Number of reflections	42000	3512
<I/σ(I)>	9.5	2.2
Completeness [%]	97.3	99.4
Redundancy	2.9	3
CC(1/2)	0.996	0.724

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.20M ammonium formate and 31.2% PEG3350