2NYH

Crystal structure of putative dioxygenase (YP_555069.1) from Burkholderia Xenovorans LB400 at 1.70 A resolution

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	2006-09-13
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000, 0.9795, 0.9792
Spacegroup name	C 2 2 21
Unit cell lengths	70.970, 88.304, 88.571
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.692 - 1.700
R-factor	0.179
Rwork	0.176
R-free	0.22000
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.466
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.692	27.690	1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.128	0.021	0.916
Total number of observations		1192	7583
Number of reflections	30205
<I/σ(I)>	8.3	31.1	1.7
Completeness [%]	98.0	96.2	97.4
Redundancy	3.4	3.2	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.4	277	0.2M Li2SO4, 20.0% PEG-3350, No Buffer, pH 6.4, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K