9V5C

Light driven bicarbonate reduction by fluorescent protein mRuby-Metha1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-02
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	67.400, 95.530, 31.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.160 - 1.680
R-factor	0.23262
Rwork	0.231
R-free	0.26320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.330
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.770	1.720
High resolution limit [Å]	1.680	1.680
Number of reflections	24095	1732
<I/σ(I)>	9
Completeness [%]	99.7
Redundancy	12.7
CC(1/2)	0.996	0.293

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M NH4HCO3, 0.1M Bistris pH6.5, 25%PEG3350