9BKY
Crystal structure of a C2 domain from Trichomonas vaginalis (sulfate bound)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 19-ID |
Synchrotron site | NSLS-II |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2024-04-13 |
Detector | DECTRIS EIGER2 XE 9M |
Wavelength(s) | 0.9786 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 86.399, 86.399, 132.663 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.940 - 1.730 |
R-factor | 0.1811 |
Rwork | 0.180 |
R-free | 0.20940 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.000 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.21_5207: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.940 | 1.770 |
High resolution limit [Å] | 1.730 | 1.730 |
Rmerge | 0.202 | 2.503 |
Rmeas | 0.206 | 2.550 |
Rpim | 0.040 | 0.484 |
Total number of observations | 1389460 | 105572 |
Number of reflections | 53166 | 3860 |
<I/σ(I)> | 14.9 | 2.2 |
Completeness [%] | 100.0 | |
Redundancy | 26.1 | 27.4 |
CC(1/2) | 0.999 | 0.748 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | Crystal Screen HT C8: 2.0M Ammonium Sulfate, TrvaA.17083.b.B2.PB00135 at 12 mg/mL. plate 13973 well C8, drop 1, Puck: PSL-0315, Cryo: 2.5M Lithium Sulfate. |