9BQW

Fab F945-DbpA complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-05
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979
Spacegroup name	P 21 2 21
Unit cell lengths	51.105, 86.461, 151.484
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.420 - 2.550
R-factor	0.2045
Rwork	0.202
R-free	0.24560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.604
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.590
High resolution limit [Å]	2.550	6.920	2.550
Rmerge	0.124	0.065	0.796
Rmeas	0.130	0.068	0.856
Rpim	0.038	0.020	0.302
Total number of observations	249397
Number of reflections	22519	1275	994
<I/σ(I)>	3.3
Completeness [%]	99.3	100	90.7
Redundancy	11.1	11.9	5.9
CC(1/2)	0.996	0.998	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	PEG 3350 and 200 mM Ammonium Sulfate