6YL7

Crystal structure of beta carbonic anhydrase from the pathogenic bacterium Burkholderia pseudomallei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-16
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0399
Spacegroup name	P 64 2 2
Unit cell lengths	88.738, 88.738, 112.428
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.410 - 3.170
R-factor	0.197
Rwork	0.193
R-free	0.29620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rxy
RMSD bond length	0.006
RMSD bond angle	1.587
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.410	3.380
High resolution limit [Å]	3.170	3.170
Rmerge	0.341	2.960
Rmeas	0.354	3.080
Rpim	0.093	0.840
Number of reflections	4883	849
<I/σ(I)>	9.7
Completeness [%]	99.9
Redundancy	24.7
CC(1/2)	1.000	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	22% PEG 4000, 10% isopropanol, 100 mM HEPES pH 7.5 and 3% v/v 1,5-Diaminopentene di-HCl.