7XVX
Neutron crystal structure of human macrophage migration inhibitory factor
Experimental procedure
Experimental method | LAUE |
Source type | SPALLATION SOURCE |
Source details | J-PARC MLF BEAMLINE BL-03 |
Synchrotron site | JPARC MLF |
Beamline | BL-03 |
Temperature [K] | 293 |
Detector technology | DIFFRACTOMETER |
Collection date | 2020-06-24 |
Detector | iBIX |
Wavelength(s) | 3.05-5.47 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 96.534, 96.534, 105.596 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.000 |
Rwork | 0.180 |
R-free | 0.20000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7xtx |
RMSD bond length | 0.041 |
RMSD bond angle | 1.556 |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.270 | 2.110 | 1.630 |
High resolution limit [Å] | 1.600 | 2.000 | 1.600 |
Number of reflections | 75394 | 5589 | 3674 |
<I/σ(I)> | 14.7 | ||
Completeness [%] | 99.9 | ||
Redundancy | 10 | ||
CC(1/2) | 0.996 | 0.431 | 0.923 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 283 | 0.49 M Monosodium phosphate, 0.91 M Dipotassium phosphate | |
1 | VAPOR DIFFUSION, SITTING DROP | 283 | 0.49 M Monosodium phosphate, 0.91 M Dipotassium phosphate |