23FX

Crystal structure of sulX mutant-A399S in complex with FMN and sulfamethazine

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-05-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 62 2 2
Unit cell lengths	133.720, 133.720, 138.920
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.220 - 2.470
R-factor	0.1873
Rwork	0.184
R-free	0.24605
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.631
Data reduction software	SAINT
Data scaling software	SAINT
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.780	2.530
High resolution limit [Å]	2.470	2.470
Number of reflections	26878	1937
<I/σ(I)>	17.6	2.6
Completeness [%]	99.9
Redundancy	32.5
CC(1/2)	0.999	0.930

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	298	24% PEG 500, 1.2 mM Zinc sulfate, 0.1 M MES pH6.5