7PFB

2 minute Fe2+ soaked structure of SynFtn Variant D65A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	F 4 3 2
Unit cell lengths	177.240, 177.240, 177.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.662 - 1.700
R-factor	0.1751
Rwork	0.174
R-free	0.19920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 5OUW
RMSD bond length	0.006
RMSD bond angle	0.708
Data reduction software	xia2
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.310	44.310	1.700
High resolution limit [Å]	1.660	7.430	1.660
Rmerge	0.092	0.036	3.829
Rmeas	0.093	0.037	3.853
Rpim	0.011	0.004	0.434
Total number of observations	2221649	25264	162799
Number of reflections	28740	407	2083
<I/σ(I)>	33.8	107.2	1.8
Completeness [%]	100.0	99.6	100
Redundancy	77.3	62.1	78.2
CC(1/2)	1.000	1.000	0.732

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	289	2M NaCl