6CUL

PvdF of pyoverdin biosynthesis is a structurally unique N10-formyltetrahydrofolate-dependent formyltransferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-01-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	127.988, 92.771, 127.579
Unit cell angles	90.00, 90.11, 90.00

Refinement procedure

Resolution	38.760 - 2.300
R-factor	0.2303
Rwork	0.227
R-free	0.24880
Structure solution method	SAD
RMSD bond length	0.037
RMSD bond angle	2.313
Data reduction software	XDS
Data scaling software	XDS
Phasing software	CRANK2
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.760	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.059	0.282
Rmeas	0.083	0.398
Rpim	0.059	0.280
Number of reflections	121938
<I/σ(I)>	9.1	2.2
Completeness [%]	91.8
Redundancy	2.7
CC(1/2)		0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298.15	0.55 M sodium citrate, 0.1 M Tris-HCl pH 8.5