8TT9
X-ray structure of Macrophage Migration Inhibitory Factor (MIF) Covalently Bound to 4-hydroxyphenylpyruvate (HPP)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 293 |
Detector technology | CMOS |
Collection date | 2018-05-04 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.570, 68.870, 88.430 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.220 - 1.680 |
R-factor | 0.1717 |
Rwork | 0.170 |
R-free | 0.19920 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.335 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.220 | 1.710 |
High resolution limit [Å] | 1.680 | 1.680 |
Rmerge | 0.076 | 2.208 |
Rmeas | 0.085 | 2.426 |
Rpim | 0.040 | 1.302 |
Number of reflections | 48464 | 2461 |
<I/σ(I)> | 16.1 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.6 | 6.4 |
CC(1/2) | 0.998 | 0.314 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 2M AMMONIUM SULFATE, 4% ISOPROPANOL, 0.1 M TRIS(HYDROXYMETHYL)AMINOMETHAN; MIXED WITH PROTEIN:INHIBITOR COMPLEX IN A 1:10 RATIO |