7PFK

20 minute Fe2+ soaked structure of SynFtn variant 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	176.590, 176.590, 176.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.513 - 1.550
R-factor	0.1549
Rwork	0.153
R-free	0.18620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ouw
RMSD bond length	0.005
RMSD bond angle	0.665
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]	44.150	44.170	1.540
High resolution limit [Å]	1.510	4.100	1.510
Rmeas	0.045	0.030	1.744
Rpim	0.014	0.010	0.780
Total number of observations	332881	17675	8131
Number of reflections	37333	2100	1757
<I/σ(I)>	21.3	58.3	0.9
Completeness [%]	99.5	99.6	95.7
Redundancy	8.9	8.4	4.6

Crystallization Conditions

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