6G7Q

Trichodesmium Tery_3377 (IdiA) (FutA) in complex with iron and citrate ligands.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976250
Spacegroup name	P 1 21 1
Unit cell lengths	56.330, 102.010, 57.670
Unit cell angles	90.00, 112.85, 90.00

Refinement procedure

Resolution	30.000 - 1.200
R-factor	0.1358
Rwork	0.136
R-free	0.16480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.818
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]	30.000	30.000	1.230
High resolution limit [Å]	1.200	5.370	1.200
Rmerge	0.072	0.037	0.871
Rmeas	0.080	0.041	0.963
Total number of observations	1070779
Number of reflections	183781	2134	13641
<I/σ(I)>	11.63	43.47	1.55
Completeness [%]	98.3	98.6	99.2
Redundancy	5.826	6.33	5.552
CC(1/2)	0.999	0.998	0.679

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	PEG500MME, PEG20000, Sodium formate, Ammonium acetate, Sodium citrate tribasic dihydrate, Sodium potassium tartrate tetrahydrate, Sodium oxamate, Sodium HEPES, MOPS (acid).