9FQG

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	46.158, 46.158, 41.936
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.973 - 1.300
Rwork	0.138
R-free	0.16690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	2.351
Data reduction software	AutoProcess
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]	41.940	41.940	1.320
High resolution limit [Å]	1.300	7.120	1.300
Rmerge	0.046	0.037	0.651
Rmeas	0.048	0.039	0.702
Rpim	0.015	0.012	0.256
Number of reflections	12340	12340	603
<I/σ(I)>	30.3
Completeness [%]	94.5
Redundancy	18.5	14.7	14
CC(1/2)	1.000	0.997	0.949

Crystallization Conditions

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