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 |