8P2B

Crystal structure of CbFMN4 domain 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9655
Spacegroup name	P 63
Unit cell lengths	124.915, 124.915, 29.846
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.900 - 2.600
R-factor	0.18378
Rwork	0.182
R-free	0.21917
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.377
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.900	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.152	2.623
Rmeas	0.161	2.773
Rpim	0.052	0.894
Total number of observations		10011
Number of reflections	8547	1052
<I/σ(I)>	13.7	0.8
Completeness [%]	100.0
Redundancy	9.7	9.5
CC(1/2)	0.998	0.526

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.7	294	3.4 M ammonium sulfate, 0.1 M bis-tris-propane