4NXL

Dibenzothiophene monooxygenase (DszC) from Rhodococcus erythropolis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-03-01
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	130.980, 136.180, 174.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.355 - 2.300
R-factor	0.1821
Rwork	0.179
R-free	0.23130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.193
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: dev_1525))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.320
High resolution limit [Å]	2.260	10.110	2.260
Rmerge		0.027	0.985
Number of reflections	69343
<I/σ(I)>		25.13	1.37
Completeness [%]	99.8	92.6	97.6
Redundancy		2.21	2.14

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	200 mM lithium sulfate, 100 mM bis-tris [pH 6.5] and 35% [w/v] PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K