8YRC

Chlorinated YabJ from Staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-04
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	51.690, 75.350, 52.830
Unit cell angles	90.00, 103.05, 90.00

Refinement procedure

Resolution	32.510 - 1.700
R-factor	0.21645
Rwork	0.183
R-free	0.20920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yu2
RMSD bond length	0.011
RMSD bond angle	1.842
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.950	1.730
High resolution limit [Å]	1.700	1.700
Number of reflections	46373	2847
<I/σ(I)>	10.3
Completeness [%]	97.6
Redundancy	1.8
CC(1/2)	0.990	0.360

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	25% (w/v) PEG3350 and 100 mM Tris/HCl, pH 8.5