4LBH

5-chloro-2-hydroxyhydroquinone dehydrochlorinase (TftG) from Burkholderia phenoliruptrix AC1100: Apo-form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-01-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 6 2 2
Unit cell lengths	90.317, 90.317, 51.256
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.158 - 1.750
R-factor	0.189
Rwork	0.186
R-free	0.21650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.078
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	1.930	1.780
High resolution limit [Å]	1.750	1.890	1.750
Number of reflections	12883
Completeness [%]	99.6	100	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277.15	30% (w/v) polyethylene glycol 1500, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K