8X1O

Crystal structure of M249C/N270C mutant of FfIBP

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	2022-11-17
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 41 2 2
Unit cell lengths	69.140, 69.140, 178.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.229 - 2.100
Rwork	0.246
R-free	0.28190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.834
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.229	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.060
Number of reflections	26115	2102
<I/σ(I)>	35.7
Completeness [%]	100.0
Redundancy	25.4
CC(1/2)	1.000	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.1 M sodium citrate pH 4.4, 3 M sodium chloride