8IUD

Crystal Structure of bacterial defense protein GajB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2021-05-03
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	68.656, 70.261, 145.757
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.468 - 2.000
R-factor	0.1986
Rwork	0.197
R-free	0.23350
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.953
Data scaling software	HKL-2000 (v723)
Phasing software	AutoSol
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.985	0.068	1.105
Total number of observations	689965
Number of reflections	91545	8943	9151
<I/σ(I)>	9.5
Completeness [%]	99.7	97	100
Redundancy	7.5	7	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Tris pH 8.5, 20 %(v/v) PEG 400, 20 %(v/v) Ethylene glycol