8K41

mercuric reductase,GbsMerA, - FAD bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2022-04-12
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9794
Spacegroup name	P 31 2 1
Unit cell lengths	102.330, 102.330, 108.700
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.570 - 2.390
Rwork	0.209
R-free	0.27110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.573
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.570	2.480
High resolution limit [Å]	2.390	2.390
Number of reflections	26169	2695
<I/σ(I)>	27.8
Completeness [%]	99.0
Redundancy	20.1
CC(1/2)	1.000	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	10% w/v PEG 4000, 20% v/v glycerol, 0.12M of ethylene glycol, 0.1M bicine/Trizma pH8.5