8HGR

The apo-flavodoxin monomer from Synechococcus elongatus PCC 7942

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-14
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	50.281, 50.544, 69.325
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.840 - 1.840
R-factor	0.1659
Rwork	0.162
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1czn
RMSD bond length	0.005
RMSD bond angle	0.775
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.930
High resolution limit [Å]	1.840	1.840
Rmerge	0.095	0.675
Rpim	0.030	0.298
Number of reflections	15654	1906
<I/σ(I)>	15.6	2.3
Completeness [%]	97.5	83.1
Redundancy	11.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.2 M Magnesium chloride; 0.1 M Tris-HCl pH8.5; 30% PEG4000