7QPS

Structure of Mn-free SpoT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9801
Spacegroup name	P 41 2 2
Unit cell lengths	90.887, 90.887, 262.359
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	85.880 - 2.790
R-factor	0.2602
Rwork	0.258
R-free	0.29830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6s2v
RMSD bond length	0.009
RMSD bond angle	0.990
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.4 (20-OCT-2021))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.880	2.900
High resolution limit [Å]	2.790	2.790
Rmerge	0.527	3.457
Rpim	0.108	0.689
Number of reflections	25337	1230
<I/σ(I)>	10.1
Completeness [%]	94.7
Redundancy	24.8
CC(1/2)	0.990	0.487

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	0.5 M Ammonium sulfate, 1.0 M Lithium sulfate, 0.1 M Sodium citrate, 30 % w/v PEG 1500