3B8L

CRYSTAL STRUCTURE OF A PUTATIVE AROMATIC RING HYDROXYLASE (SARO_3538) FROM NOVOSPHINGOBIUM AROMATICIVORANS DSM AT 1.75 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	2007-08-30
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000, 0.9798, 0.9796
Spacegroup name	P 41 21 2
Unit cell lengths	95.850, 95.850, 232.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.540 - 1.750
R-factor	0.169
Rwork	0.167
R-free	0.19900
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.477
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.540	29.540	1.810
High resolution limit [Å]	1.750	3.760	1.750
Rmerge	0.091	0.026	0.736
Number of reflections	109179	21004	18991
<I/σ(I)>	12.12	40.4	1.6
Completeness [%]	99.4	99.7	94.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	277	NANODROP, 30.0% Glycerol, 5.6% PEG 4000, 0.1M Acetate pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K