8AFV

DaArgC3 - Engineered Formyl Phosphate Reductase with 3 substitutions (S178V, G182V, L233I)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	80
Detector technology	PIXEL
Collection date	2022-02-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	91.877, 109.550, 133.225
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.360 - 2.190
R-factor	0.189
Rwork	0.189
R-free	0.20700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dr3
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.364	42.364	2.310
High resolution limit [Å]	2.190	6.940	2.194
Rmerge		0.040	0.193
Rmeas	0.068	0.049	0.229
Rpim	0.035	0.026	0.119
Number of reflections	66917	2104	9791
<I/σ(I)>	13.5	13.4	3.6
Completeness [%]	97.0	90.3	98.3
Redundancy	3.2	2.9	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	288.15	0.2 M Sodium chloride 0.1 M HEPES pH 7.5 25%(w/v) PEG 4000