5NHS

The crystal structure of Xanthomonas albilineans N5, N10-methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-27
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.45864
Spacegroup name	P 21 21 2
Unit cell lengths	123.295, 76.404, 66.641
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.640 - 2.110
R-factor	0.19358
Rwork	0.191
R-free	0.24054
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1b0a
RMSD bond length	0.023
RMSD bond angle	2.148
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.640	2.170
High resolution limit [Å]	2.110	2.110
Rmerge	0.100	0.970
Number of reflections	36804
<I/σ(I)>	1.45	1.5
Completeness [%]	99.2	94.6
Redundancy	2	4
CC(1/2)		0.470

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	291	0.15 M malic acid, 20% PEG 3350, 0.1 M sodium cacodylate pH 6.5