5T75

Human carbonic anhydrase II G132C_C206S double mutant in complex with SA-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-03-07
Detector	PSI PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	42.530, 41.480, 72.340
Unit cell angles	90.00, 104.25, 90.00

Refinement procedure

Resolution	15.000 - 1.500
R-factor	0.14637
Rwork	0.145
R-free	0.17502
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vva
RMSD bond length	0.008
RMSD bond angle	1.287
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.600
High resolution limit [Å]	1.500	1.500
Rmerge	0.070	0.547
Number of reflections	37834
<I/σ(I)>	10.5	2.2
Completeness [%]	95.9	92.2
Redundancy	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	3 M (NH4)2SO4, 50 mM Tris-HCl