3HWC

Crystal Structure of Chlorophenol 4-Monooxygenase (TftD) of Burkholderia cepacia AC1100

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-17
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97956, 0.91840, 0.97934
Spacegroup name	C 2 2 21
Unit cell lengths	148.198, 149.867, 212.005
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.942 - 2.500
R-factor	0.1684
Rwork	0.168
R-free	0.22370
Structure solution method	MAD
RMSD bond length	0.004
RMSD bond angle	0.757
Data reduction software	CrystalClear
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.340	2.050
High resolution limit [Å]	2.000	2.000
Completeness [%]		20

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.1	277	20% (w/v) PEG 4000, 0.2M lithium nitrate, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 277K