8UR4
Crystal Structure of macrophage migration inhibitory factor (MIF) from Trichomonas vaginalis (I4122 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 | 2023-10-08 |
Detector | DECTRIS EIGER2 XE 9M |
Wavelength(s) | 0.9795 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 109.871, 109.871, 125.883 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 82.780 - 2.550 |
R-factor | 0.2547 |
Rwork | 0.253 |
R-free | 0.28000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.501 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.21rc1_5127: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 82.780 | 2.620 |
High resolution limit [Å] | 2.550 | 2.550 |
Rmerge | 0.129 | 1.956 |
Rmeas | 0.133 | 2.022 |
Rpim | 0.033 | 0.505 |
Total number of observations | 211801 | 15124 |
Number of reflections | 12918 | 955 |
<I/σ(I)> | 14.8 | 1.6 |
Completeness [%] | 100.0 | |
Redundancy | 16.4 | 15.8 |
CC(1/2) | 0.998 | 0.703 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | Index A4: 0.1 M BIS-TRIS pH 6.5, 2.0 M Ammonium sulfate. TrvaA.00834.a.UX1.PW39224 at 35.4 mg/mL. 5 mM Sodium 4-OH-phenyl-pyruvate added to the protien prior to crystallization. No electron density for the ligand was observed. Plate: 13644 well A4 drop 1, Puck: PSL-0107, Cryo: 2.5M Lithium sulfate |