8WGL

Crystal structure of Rhodothermus marinus substrate-binding protein (Hg soaking)

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	2016-11-25
Detector	ADSC QUANTUM 270
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	49.645, 45.209, 57.041
Unit cell angles	90.00, 91.72, 90.00

Refinement procedure

Resolution	24.110 - 2.300
R-factor	0.1973
Rwork	0.192
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.663
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.080	0.373
Number of reflections	11062	570
<I/σ(I)>	21.83
Completeness [%]	96.4	100
Redundancy	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	Bis-Tris, pH 6.5, Magnesium chloride and Polyethylene glycol 3,350