4OXX

Crystal Structure of Cindoxin, Surface Entropy reduction Mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 32 2 1
Unit cell lengths	82.109, 82.109, 37.042
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.852 - 1.210
R-factor	0.1419
Rwork	0.141
R-free	0.15970
RMSD bond length	0.014
RMSD bond angle	1.576
Refinement software	PHENIX ((PHENIX.REFINE: 1.7.3_928))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.210
Number of reflections	43778
<I/σ(I)>	31.8
Completeness [%]	97.0
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	298	100mM hepes, pH 7, 1.7-2.1M ammonium sulfate