7PFH

2 minute Fe2+ soak structure of SynFtn E141D

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	2020-06-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	F 4 3 2
Unit cell lengths	176.870, 176.870, 176.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.218 - 1.500
R-factor	0.1536
Rwork	0.153
R-free	0.17110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ouw
RMSD bond length	0.004
RMSD bond angle	0.661
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	53.300	53.340	1.440
High resolution limit [Å]	1.410	3.830	1.410
Rmeas	0.047	0.029	1.802
Rpim	0.011	0.007	0.871
Total number of observations	685729	43689	8892
Number of reflections	45787	2563	2192
<I/σ(I)>	23.3	128	0.2
Completeness [%]	99.7	99.7	96.9
Redundancy	15	17	4.1

Crystallization Conditions

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