6LB9

Magnesium ion-bound SspB crystal structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	193.15
Detector technology	PIXEL
Collection date	2015-07-07
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	57.248, 80.249, 146.022
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.605 - 2.227
R-factor	0.1987
Rwork	0.196
R-free	0.25240
Structure solution method	SAD
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.010	2.300
High resolution limit [Å]	2.220	2.220
Number of reflections	33730	30780
<I/σ(I)>	8.5
Completeness [%]	99.7
Redundancy	6.3
CC(1/2)	0.992	0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		287.15	25% PEG 3350,0.2M Magnesium chloride