4O1K

Crystal structures of two tetrameric beta-carbonic anhydrases from the filamentous ascomycete Sordaria macrospora.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-01-01
Detector	PSI PILATUS 6M
Wavelength(s)	0.826610
Spacegroup name	F 2 2 2
Unit cell lengths	83.200, 94.110, 96.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.770 - 1.830
R-factor	0.1923
Rwork	0.191
R-free	0.21130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3e3i
RMSD bond length	0.010
RMSD bond angle	1.362
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.770		1.930
High resolution limit [Å]	1.830	50.000	1.830
Rmerge	0.037		0.599
Number of reflections	16776		2441
<I/σ(I)>	17.99		2.43
Completeness [%]	99.2		99.6
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1 M Tris hydrochloride, 25% PEG 4000, 0.2 M CaCl2 x 2H2O, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K