4O4V
Crystal Structure of Trichomonas vaginalis Triosephosphate Isomerase Tvag_497370 (Ile-45 variant)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-03-31 |
Wavelength(s) | 0.9786 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 47.220, 56.750, 107.860 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.064 - 1.230 |
R-factor | 0.1457 |
Rwork | 0.145 |
R-free | 0.15640 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.476 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHASER (2.1.4) |
Refinement software | PHENIX (dev_1396) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 23.064 | 23.064 | 1.300 |
High resolution limit [Å] | 1.230 | 3.890 | 1.230 |
Rmerge | 0.053 | 0.489 | |
Total number of observations | 11486 | 68709 | |
Number of reflections | 84500 | ||
<I/σ(I)> | 11.5 | 11.3 | 1.1 |
Completeness [%] | 99.5 | 88.2 | 100 |
Redundancy | 5.6 | 4.5 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 294 | 0.2M Calcium acetate, 0.1M Sodium cacodylate, 18% PEG 8000, pH 6.5, vapor diffusion, hanging drop, temperature 294K |