4L5U

The structural implications of the secondary CO2 binding pocket in human carbonic anhydrase II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-02-11
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	42.343, 41.433, 72.453
Unit cell angles	90.00, 104.27, 90.00

Refinement procedure

Resolution	19.991 - 2.050
R-factor	0.1563
Rwork	0.154
R-free	0.20060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.297
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.8_106)
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.050
Number of reflections	15372
Completeness [%]	99.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	298	1.4M sodium citrate, 50 mM Tris, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K