6IM0

Crystal structure of a highly thermostable carbonic anhydrase from Persephonella marina EX-H1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	77
Detector technology	PIXEL
Collection date	2018-05-15
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	124.885, 109.034, 123.186
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	123.190 - 2.600
R-factor	0.19183
Rwork	0.190
R-free	0.22719
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6eki
RMSD bond length	0.013
RMSD bond angle	1.814
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	123.190	2.690
High resolution limit [Å]	2.600	2.600
Rpim	0.083	0.318
Number of reflections	47255	4968
<I/σ(I)>	9.8
Completeness [%]	97.9
Redundancy	3.4
CC(1/2)	0.955	0.758

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	100 mM sodium HEPES pH 7.5, 28-32% (w/v) polyethylene glycol (PEG) 400, and 200-400 mM calcium chloride dehydrate.