3UCK

Coccomyxa beta-carbonic anhydrase in complex with phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2000-11-06
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9311
Spacegroup name	P 43 21 2
Unit cell lengths	74.059, 74.059, 220.502
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.780 - 2.500
R-factor	0.20817
Rwork	0.205
R-free	0.27514
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ucj
RMSD bond length	0.019
RMSD bond angle	1.799
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.590
High resolution limit [Å]	2.500	2.500
Number of reflections	22331
Completeness [%]	98.5	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	291	1.6-2.3 M sodium/potassium phosphate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K