8UZ4
Crystal Structure of macrophage migration inhibitory factor (MIF) from Trichomonas vaginalis (Apo, P41212 form)
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 | 2023-10-09 |
Detector | DECTRIS EIGER2 XE 9M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 80.715, 80.715, 121.152 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 67.170 - 2.400 |
R-factor | 0.2463 |
Rwork | 0.245 |
R-free | 0.26420 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.124 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 80.710 | 2.460 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.091 | 2.689 |
Rmeas | 0.093 | 2.745 |
Rpim | 0.020 | 0.549 |
Total number of observations | 379848 | 29417 |
Number of reflections | 16349 | 1195 |
<I/σ(I)> | 21.2 | 1.6 |
Completeness [%] | 100.0 | |
Redundancy | 23.2 | 24.6 |
CC(1/2) | 0.999 | 0.627 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | Berkeley D5: 100 mM Hepes free acid/ Sodium hydroxide pH 7.5 200 mM Ammonium acetate 25% (w/v) PEG 3350. TrvaA.00834.a.UX1.PW39224 at 35.4 mg/mL. Plate: 13617 well D5 drop 2, Puck: PSL-1907, Cryo: 20% PEG 200 + 80% crystallant |