6G7P

Trichodesmium Tery_3377 (IdiA) (FutA) with iron and water ligands.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-05
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979490
Spacegroup name	P 1 21 1
Unit cell lengths	55.990, 82.920, 64.860
Unit cell angles	90.00, 95.19, 90.00

Refinement procedure

Resolution	82.920 - 1.500
R-factor	0.1489
Rwork	0.148
R-free	0.17390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.729
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	82.920	82.920	1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge	0.041	0.024	0.274
Rmeas	0.048	0.028	0.323
Total number of observations	312154
Number of reflections	90097	1061	6575
<I/σ(I)>	16.22	36.75	4.13
Completeness [%]	95.5	96	94.1
Redundancy	3.465	3.425	3.614
CC(1/2)	0.999	0.999	0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	PEG500MME, PEG20000, Sodium HEPES, MOPS (acid), D-Glucose, D-Mannose, D-Galactose, L-Fucose, D-Xylose, N-Acetyl-D-Glucosamine.