9J47

ScdA cysteine-free mutant from Staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	297.15
Detector technology	PIXEL
Collection date	2024-05-01
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.99987
Spacegroup name	P 21 21 21
Unit cell lengths	69.538, 92.492, 110.889
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.070 - 2.380
R-factor	0.2203
Rwork	0.218
R-free	0.25220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.961
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.070	2.770
High resolution limit [Å]	2.380	2.380
Rmerge	0.084
Rmeas	0.092	0.799
Rpim	0.037	0.324
Number of reflections	29149	293628
<I/σ(I)>	11.7
Completeness [%]	99.3
Redundancy	6.1
CC(1/2)	0.996	0.858

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		297.15	0.24 M calcium chloride 0.1 M MES 5.6 20 % w/v PEG 6000 0.1 M b-Nicotinamide adenine dinucleotide hydrate