6EKI

Structure of a hyperthermostable carbonic anhydrase identified from an active hydrothermal vent chimney

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-17
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.069
Spacegroup name	P 1
Unit cell lengths	46.317, 71.276, 103.344
Unit cell angles	88.38, 82.84, 84.22

Refinement procedure

Resolution	39.986 - 2.555
R-factor	0.1679
Rwork	0.164
R-free	0.23560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4c3t
RMSD bond length	0.016
RMSD bond angle	1.582
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.700		2.710
High resolution limit [Å]	2.555	7.570	2.555
Rmerge	0.066	0.020	0.449
Rmeas	0.089	0.027	0.607
Number of reflections	40713	1542	6492
<I/σ(I)>	11.06	32.74	1.87
Completeness [%]	96.3	94.9	94.8
Redundancy	2.19
CC(1/2)	0.996	0.999	0.814

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	296	20% w/v Ethylene glycol , 10% w/v PEG 8000 , 0.1 M Citric acid