3HB7

The Crystal Structure of an Isochorismatase-like Hydrolase from Alkaliphilus metalliredigens to 2.3A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-06
Detector	ADSC QUANTUM 315
Spacegroup name	P 1 21 1
Unit cell lengths	85.651, 105.425, 106.267
Unit cell angles	90.00, 103.90, 90.00

Refinement procedure

Resolution	46.320 - 2.300
R-factor	0.198
Rwork	0.196
R-free	0.23800
RMSD bond length	0.010
RMSD bond angle	1.252
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	REFMAC (refmac_5.5.0054)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.069	0.252
Number of reflections	80891
<I/σ(I)>	13.5
Completeness [%]	99.6	99.7
Redundancy	3.8	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.6	298	25% PEG 3350, 0.2M Ammonium acetate, 0.1M Tris pH 7.6, VAPOR DIFFUSION, temperature 298K