6IM3

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 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	77
Detector technology	CCD
Collection date	2018-09-07
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	119.040, 120.811, 123.915
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	123.920 - 2.000
R-factor	0.21096
Rwork	0.209
R-free	0.23971
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6eki
RMSD bond length	0.019
RMSD bond angle	2.167
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]	123.920	2.070
High resolution limit [Å]	2.000	2.000
Rpim	0.033	0.445
Number of reflections	113905	11820
<I/σ(I)>	42.4
Completeness [%]	99.2
Redundancy	9.2
CC(1/2)	0.995	0.788

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	100 mM glycine pH 9.5, 28-32% (w/v) polyethylene glycol (PEG) 400, and 200-400 mM calcium chloride dehydrate, 7 mM acetazolamide