4LU3

The crystal structure of the human carbonic anhydrase XIV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2012-01-10
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 41 21 2
Unit cell lengths	88.610, 88.610, 108.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.181
Rwork	0.181
R-free	0.20600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rj5
RMSD bond length	0.012
RMSD bond angle	1.600
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.088	0.426
Number of reflections	29992
<I/σ(I)>	18.4	3.2
Completeness [%]	100.0	100
Redundancy	8.4	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	2M Ammonium sulfate, 0.1M TRIS-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K