3BOE

Carbonic anhydrase from marine diatom Thalassiosira weissflogii- cadmium bound domain 2 with acetate (CDCA1-R2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-04-26
Detector	ADSC QUANTUM 315
Wavelength(s)	1.08
Spacegroup name	P 21 21 2
Unit cell lengths	64.619, 78.684, 37.306
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.890 - 1.400
R-factor	0.167
Rwork	0.166
R-free	0.18600
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.009
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.450
High resolution limit [Å]	1.400	1.400
Number of reflections	37559
Completeness [%]	98.0	85.5
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	200 mM sodium acetate, 0.1 M Sodium Citrate, 20% (w/v) PEG3350, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K