4WQJ

Crystal Structure of CYP119 from Sulfolobus acidocaldarius, Collected at 298K and Complexed with 4-(4-bromophenyl)-1H imidazole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	298
Detector technology	CCD
Collection date	2014-04-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.127
Spacegroup name	P 63 2 2
Unit cell lengths	168.680, 168.680, 76.350
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.945 - 2.700
R-factor	0.1686
Rwork	0.166
R-free	0.21100
RMSD bond length	0.011
RMSD bond angle	1.251
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.770
High resolution limit [Å]	2.700	2.700
Number of reflections	17686
<I/σ(I)>	4.7	2.9
Completeness [%]	97.7	95.5
Redundancy	4.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.85-1.2 Ammonium Sulfate 80mM Ammonium Acetate pH 4.5 20mM Ammonium Acetate pH 5.6 340mM NaCl 20% Glycerol