1MQQ

THE CRYSTAL STRUCTURE OF ALPHA-D-GLUCURONIDASE FROM BACILLUS STEAROTHERMOPHILUS T-1 COMPLEXED WITH GLUCURONIC ACID

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	95
Detector technology	CCD
Collection date	2001-07-12
Detector	BRANDEIS - B4
Wavelength(s)	1.1
Spacegroup name	P 41 21 2
Unit cell lengths	74.092, 74.092, 331.863
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.650
Rwork	0.185
R-free	0.22850
Structure solution method	AB INITIO
Starting model (for MR)	PDB CODE 1K9D
RMSD bond length	0.011
RMSD bond angle	0.024
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.079	0.452
Number of reflections	111221
<I/σ(I)>	7.9
Completeness [%]	98.9	91
Redundancy	10	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	12% isopropanol, 14% PEG 4K, 0.1M Na-citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K