3OTM

Crystal structures of wild-type gamma-carbonic anhydrase from Methanosarcina thermophila

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 3
Unit cell lengths	83.521, 83.521, 83.521
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.412 - 1.500
R-factor	0.1372
Rwork	0.136
R-free	0.15630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.346
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	PHENIX (1.6.3_467)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.043	0.031	0.424
Number of reflections	31359
<I/σ(I)>	28.8
Completeness [%]	99.9	99.5	99.7
Redundancy	18.6	20.8	6.4

Crystallization Conditions

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