7XZO

Formate-tetrahydrofolate ligase in complex with ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-10
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.9791
Spacegroup name	C 1 2 1
Unit cell lengths	215.280, 115.100, 106.530
Unit cell angles	90.00, 93.15, 90.00

Refinement procedure

Resolution	30.029 - 2.310
R-factor	0.253
Rwork	0.252
R-free	0.28990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5a4j
Data reduction software	XDS
Data scaling software	SCALEPACK
Phasing software	MoRDa
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.480	2.370
High resolution limit [Å]	2.310	2.310
Number of reflections	113515	8382
<I/σ(I)>	5.6	1.2
Completeness [%]	99.9	99.9
Redundancy	6.9
CC(1/2)	0.995	0.523

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295.15	20% w/v PEG 3350, 200mM potassium formate