5DHE

Crystal structure of ChBD3 from Thermococcus kodakarensis KOD1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-09
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9
Spacegroup name	P 1 21 1
Unit cell lengths	49.161, 44.669, 51.712
Unit cell angles	90.00, 114.88, 90.00

Refinement procedure

Resolution	30.000 - 1.600
Rwork	0.194
R-free	0.20930
Structure solution method	SAD
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.13)
Refinement software	CNS (1.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.630
High resolution limit [Å]	1.600	4.340	1.600
Rmerge	0.061	0.023	0.374
Total number of observations	107174
Number of reflections	26632
<I/σ(I)>	13.6
Completeness [%]	98.9	99.9	88.2
Redundancy	4	4	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	sodium citrate, glycerol, MES, SDS