3OTZ

Crystal structure of gamma-carbonic anhydrase W19A mutant from Metanosarcina thermophila

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	293
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 3
Unit cell lengths	83.458, 83.458, 83.458
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.671 - 1.600
R-factor	0.1403
Rwork	0.140
R-free	0.15360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.434
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.6.3_467)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	1.660
High resolution limit [Å]	1.600	3.440	1.600
Rmerge	0.046	0.035	0.460
Number of reflections	25730
<I/σ(I)>	25.5
Completeness [%]	99.8	98.1	100
Redundancy	6.8	6.6	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	5% PEG 8000 with 250mM ammonium sulfate., pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K