6B00

Thermostabilized mutant of human carbonic anhydrase II - A65T L100H K154N L224S L240P A248T

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00
Spacegroup name	P 1 21 1
Unit cell lengths	47.620, 43.760, 57.990
Unit cell angles	90.00, 100.72, 90.00

Refinement procedure

Resolution	46.788 - 0.900
R-factor	0.1208
Rwork	0.120
R-free	0.14420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ca2
RMSD bond length	0.014
RMSD bond angle	1.340
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.12_2829))

Data quality characteristics

	Overall
Low resolution limit [Å]	46.730
High resolution limit [Å]	1.110
Rmeas	0.053
Number of reflections	74402
<I/σ(I)>	20.22
Completeness [%]	80.1
Redundancy	6.12
CC(1/2)	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		278	50 mM Tris pH 8, 2.5 M ammonium sulfate
2	VAPOR DIFFUSION, HANGING DROP		278	50 mM Tris pH 8, 2.5 M ammonium sulfate
3	VAPOR DIFFUSION, HANGING DROP		278	50 mM Tris pH 8, 2.5 M ammonium sulfate
4	VAPOR DIFFUSION, HANGING DROP		278	50 mM Tris pH 8, 2.5 M ammonium sulfate
5	VAPOR DIFFUSION, HANGING DROP		278	50 mM Tris pH 8, 2.5 M ammonium sulfate