6K1X

Crystal structure of Rhodothermus marinus substrate-binding protein at pH 6.0

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)	0.9796
Spacegroup name	P 21 2 21
Unit cell lengths	34.913, 35.725, 115.572
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.941 - 1.802
R-factor	0.1935
Rwork	0.190
R-free	0.22040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5z6v
RMSD bond length	0.007
RMSD bond angle	0.809
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.874
High resolution limit [Å]	1.800	1.800
Rmerge	0.118	0.425
Rmeas	0.132	0.471
Rpim	0.057	0.198
Number of reflections	12659	1440
<I/σ(I)>	27.6	6.2
Completeness [%]	90.5	95
Redundancy	4.8
CC(1/2)		0.904

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293.15	Ammonium sulfate, MES