3U7C

crystal structure of the V143I mutant of human carbonic anhydrase II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-28
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	42.296, 41.458, 72.083
Unit cell angles	90.00, 104.16, 90.00

Refinement procedure

Resolution	20.000 - 0.930
R-factor	0.1054
R-free	0.13130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ks3
RMSD bond length	0.014
RMSD bond angle	0.031
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	SHELX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	0.950
High resolution limit [Å]	0.930	2.520	0.930
Rmerge	0.082	0.053	0.447
Number of reflections	157750
<I/σ(I)>	7.5
Completeness [%]	97.2	99.2	85.9
Redundancy	5.9	3.6	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	1.4 M citrate, 50 mM tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K