7CZA

Hexachlorobenzene monooxygenase (HcbA1) from Nocardioides sp. strain PD653 complexed with FMN

Replaces:  6LR5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	110
Detector technology	PIXEL
Collection date	2018-12-03
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.77
Spacegroup name	C 2 2 21
Unit cell lengths	112.347, 139.843, 171.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.790 - 3.210
Rwork	0.243
R-free	0.29734
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3b9n
RMSD bond length	0.013
RMSD bond angle	1.637
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.260
High resolution limit [Å]	3.200	3.200
Number of reflections	22164	1063
<I/σ(I)>	4.95
Completeness [%]	99.8
Redundancy	6.6
CC(1/2)	0.817	0.817

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	293	0.1 M Bis-Tris (pH 5.5) and 1.8 M (NH4)2SO4