9FQF

Studies on chimeric PeAFB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 32 2 1
Unit cell lengths	45.963, 45.963, 41.891
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.805 - 1.200
Rwork	0.122
R-free	0.14520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.873
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.890	41.890	1.220
High resolution limit [Å]	1.200	6.570	1.200
Rmerge	0.082	0.059	0.616
Rmeas	0.086	0.063	0.662
Rpim	0.027	0.020	0.237
Number of reflections	16405	16405	794
<I/σ(I)>	21.3
Completeness [%]	100.0
Redundancy	18.6	16.1	14.7
CC(1/2)	0.999	0.998	0.911

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	1.6M ammonium sulfate, 1M Lithium sulfate