6KHU

The crystal structure of a DGC protein from Thermotoga maritima

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-16
Detector	BRUKER SMART 6500
Wavelength(s)	0.9789
Spacegroup name	P 43 21 2
Unit cell lengths	61.303, 61.303, 101.143
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.542 - 2.098
R-factor	0.2001
Rwork	0.196
R-free	0.23760
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.847
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.140
High resolution limit [Å]	2.098	5.690	2.100
Rmerge	0.102	0.030	0.454
Number of reflections	21596	1075	1087
<I/σ(I)>	10.6
Completeness [%]	99.9	98.4	99.9
Redundancy	14.5	14.3	14.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	295	PEG 3000, trisodium citrate, Zinc acetate