8QM1

wild type Pa.FabF in complex cerulenin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-09
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.96546
Spacegroup name	P 1 21 1
Unit cell lengths	72.065, 65.159, 84.816
Unit cell angles	90.00, 102.04, 90.00

Refinement procedure

Resolution	47.850 - 1.910
R-factor	0.21893
Rwork	0.218
R-free	0.24825
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.426
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.910	2.030
High resolution limit [Å]	1.910	1.910
Number of reflections	56802	56802
<I/σ(I)>	3.08
Completeness [%]	90.2
Redundancy	1.72
CC(1/2)	0.840	0.200

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	35% PEG3350, 0.24M NH4HCO2