5KKO

A 1.55A X-Ray Structure from Vibrio cholerae O1 biovar El Tor of a Hypothetical Protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-09
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.12720
Spacegroup name	P 21 21 21
Unit cell lengths	56.870, 68.240, 69.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.000 - 1.550
R-factor	0.173
Rwork	0.171
R-free	0.20570
Structure solution method	SAD
RMSD bond length	0.017
RMSD bond angle	1.525
Data reduction software	xia2 (0.3.7.0)
Data scaling software	Aimless (0.3.11)
Phasing software	PHENIX (dev_1839)
Refinement software	PHENIX (dev_2203)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	22.000	1.620	1.590
High resolution limit [Å]	1.550	1.580	1.550
Rmerge	0.089	0.639	0.757
Number of reflections	39875
<I/σ(I)>	11.5	3.2	2.5
Completeness [%]	99.8	100	99.9
Redundancy	5.4	8.6	5.4
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.5	283	20% PEG3350, 0.1M Citr. Ac. pH 3.5, MgSulph 0.2M
1	VAPOR DIFFUSION, HANGING DROP	3.5	283	20% PEG3350, 0.1M Citr. Ac. pH 3.5, MgSulph 0.2M