26JK

Crystal structure of C36S mutant Glutathione peroxidase of Staphylococcus aureus.

Replaces:  9KZM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2024-12-02
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.97893
Spacegroup name	C 2 2 21
Unit cell lengths	62.795, 95.921, 59.786
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.470 - 1.550
R-factor	0.155
Rwork	0.154
R-free	0.17810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.047
Data reduction software	XDS (20240712)
Data scaling software	SCALA (8.0.019)
Phasing software	MOLREP (8.0.019)
Refinement software	REFMAC (8.0.019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.960	1.630
High resolution limit [Å]	1.550	1.550
Rmerge	0.057	0.684
Rmeas	0.059	0.709
Rpim	0.016	0.185
Number of reflections	26594	3815
<I/σ(I)>	28.1	4.7
Completeness [%]	100.0	100
Redundancy	14.5	14.5
CC(1/2)	1.000	0.964

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	300	Sodium citrate tribasic dihydrate