4TUV

X-ray crystal structure of CYP119 from Sulfolobus acidocaldarius, complexed with 4-(4-chlorophenyl)imidazole

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	2014-04-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.127092
Spacegroup name	P 63 2 2
Unit cell lengths	165.800, 165.800, 75.860
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.670 - 2.501
R-factor	0.1903
Rwork	0.188
R-free	0.23910
RMSD bond length	0.010
RMSD bond angle	1.212
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall
Low resolution limit [Å]	36.670
High resolution limit [Å]	2.500
Number of reflections	21711
<I/σ(I)>	24.48
Completeness [%]	99.9
Redundancy	12.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	1.1-1.5M Ammonium sulfate, 80mM sodium acetate pH 4.5, 20mM sodium acetate pH 5.6, 20% glycerol, 340mM NaCl