6IM1

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	118.924, 120.068, 124.067
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	124.070 - 2.000
R-factor	0.20514
Rwork	0.204
R-free	0.23582
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6eki
RMSD bond length	0.021
RMSD bond angle	2.089
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]	124.070	2.070
High resolution limit [Å]	2.000	2.000
Rpim	0.028	0.332
Number of reflections	113414	11794
<I/σ(I)>	48.1
Completeness [%]	99.7
Redundancy	9.4
CC(1/2)	0.996	0.879

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.