5J7M

Crystal structure of Cupin 2 conserved barrel domain protein from Kribbella flavida DSM 17836

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-13
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9791833
Spacegroup name	P 61
Unit cell lengths	61.162, 61.162, 120.973
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.849 - 2.070
R-factor	0.1822
Rwork	0.180
R-free	0.22400
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.945
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	PHENIX ((dev_2328))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.110
High resolution limit [Å]	2.070	5.620	2.070
Rmerge	0.101	0.051	0.722
Rmeas	0.110
Rpim	0.043
Total number of observations	97051
Number of reflections	15720
<I/σ(I)>	9.8
Completeness [%]	99.4	95.5	100
Redundancy	6.2	6.7	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	Magnesium chloride, HEPES, ethanol