6LL4

Oxygen-exposed carbazole-soaked reduced terminal oxygenase of carbazole 1,9a-dioxygenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	90
Detector technology	CCD
Collection date	2017-07-19
Detector	RAYONIX MX325HE
Wavelength(s)	1.0
Spacegroup name	P 65
Unit cell lengths	91.887, 91.887, 242.157
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.230 - 2.200
R-factor	0.1721
Rwork	0.169
R-free	0.23970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ww9
RMSD bond length	0.009
RMSD bond angle	1.403
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	200.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.372
Number of reflections	58641	2925
<I/σ(I)>	12
Completeness [%]	100.0
Redundancy	13.7
CC(1/2)		0.597

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.05 M MgCl2, 0.1 M HEPES ph 7.5 30% (v/v) PEG MME 550