8K40

mercuric reductase,GbsMerA, - FAD bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	78.190, 105.820, 126.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.380 - 2.600
Rwork	0.219
R-free	0.28180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.502
Data reduction software	XDS
Data scaling software	pointless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.380	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.110	1.600
Number of reflections	33032	3967
<I/σ(I)>	15.5
Completeness [%]	99.9
Redundancy	13.2
CC(1/2)	1.000	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	1.6 M sodium phosphate monobasic/0.4 M potassium phosphate dibasic, 0.1 M sodium phosphate dibasic/citric acid (pH 4.2)]