7ZW9

Crystal structure of a gamma-carbonic anhydrase from the pathogenic bacterium Burkholderia pseudomallei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2020-02-03
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 63
Unit cell lengths	90.130, 90.130, 48.520
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.400 - 2.100
Rwork	0.197
R-free	0.23140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n27
RMSD bond length	0.010
RMSD bond angle	1.534
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.125	0.046	0.630
Rmeas	0.133	0.048	0.696
Rpim	0.043	0.016	0.292
Total number of observations	127556
Number of reflections	13267	699	658
<I/σ(I)>	6.7
Completeness [%]	100.0	99.3	100
Redundancy	9.6	10.3	5.5
CC(1/2)		1.000	0.854

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% (w/v) Polyethylene glycol 3350, 0.15 M DL-malic acid pH 7.0