3FE4

Crystal Structure of Human Carbonic Anhydrase vi

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-05
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.99988
Spacegroup name	P 21 21 21
Unit cell lengths	51.650, 80.048, 133.441
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.270 - 1.900
R-factor	0.17946
Rwork	0.177
R-free	0.23536
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rj5 1jcz
RMSD bond length	0.016
RMSD bond angle	1.562
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0055)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.400	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.084	0.565
Number of reflections	41862
<I/σ(I)>	8.6	1.9
Completeness [%]	99.3	97.4
Redundancy	3.4	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.16M MgCl2, 0.08M Tris pH 8.5, 16% w/v PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 277K