8GF3

Crystallographic structure from BlMan5_7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS SIRIUS BEAMLINE MANACA
Synchrotron site	LNLS SIRIUS
Beamline	MANACA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-17
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.355020
Spacegroup name	C 2 2 21
Unit cell lengths	59.722, 164.744, 84.711
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.800 - 1.300
R-factor	0.1289
Rwork	0.128
R-free	0.15020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.454
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2-4158-000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.800	1.346
High resolution limit [Å]	1.300	1.300
Rpim	0.019	0.183
Number of reflections	102950	9970
<I/σ(I)>	20.64
Completeness [%]	99.8
Redundancy	11.9
CC(1/2)	0.999	0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	4 M sodium formate