3OU9

Crystal structure of gamma-carbonic anhydrase W19F mutant from Methanosarcina 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	83.582, 83.582, 83.582
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.175 - 1.800
R-factor	0.1359
Rwork	0.135
R-free	0.16130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.436
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	1.860
High resolution limit [Å]	1.800	3.870	1.800
Rmerge	0.064	0.038	0.484
Number of reflections	18298
<I/σ(I)>	16.5
Completeness [%]	99.9	99.3	99.9
Redundancy	5.6	5.7	5.4

Crystallization Conditions

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