4O1J

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	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-11-22
Detector	PSI PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 2
Unit cell lengths	70.080, 80.720, 82.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.240 - 2.695
R-factor	0.2064
Rwork	0.204
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ddz
RMSD bond length	0.005
RMSD bond angle	0.960
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]	36.240		2.800
High resolution limit [Å]	2.690	50.000	2.690
Rmerge	0.191		0.712
Number of reflections	13277		1344
<I/σ(I)>	8.22		2.34
Completeness [%]	98.7		99.7
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1 M succinic acid, 15 % PEG 3350, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 293K