6Y04

Crystal structure of beta-carbonic anhydrase isoform I (TvaCA1) from the Trichomonas vaginalis protozoan.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2019-07-08
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	47.300, 77.300, 90.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.900 - 2.480
R-factor	0.2026
Rwork	0.198
R-free	0.25720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1g5c
RMSD bond length	0.004
RMSD bond angle	1.010
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.900	41.900	2.520
High resolution limit [Å]	2.480	6.730	2.480
Rmerge	0.152	0.082	0.572
Rmeas	0.158	0.085	0.646
Rpim	0.042	0.022	0.291
Number of reflections	12403	707	592
<I/σ(I)>	7.1
Completeness [%]	99.9	99.7	97.9
Redundancy	13.5	14.9	4.5
CC(1/2)		0.998	0.777

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	30% (w/v) polyethylene glycol 4000, 0.2 M sodium acetate, 0.1 M Tris-HCl, pH 8.5