5COR
X-RAY STRUCTURE OF MACROPHAGE INFLAMMATORY PROTEIN-1 ALPHA (CCL3) N-TERMINAL-SWITCH POLYMER
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-04-11 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.746 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.073, 112.592, 179.074 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.966 - 2.548 |
R-factor | 0.1823 |
Rwork | 0.180 |
R-free | 0.22040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2x69 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.562 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.590 |
High resolution limit [Å] | 2.548 | 2.550 |
Rmerge | 0.078 | 0.414 |
Number of reflections | 38583 | |
<I/σ(I)> | 26.4 | 0.868 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 9.1 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291.16 | 0.01 M Cobalt (II) chloride hexahydrate, 0.1 M Sodium acetate trihydrate pH 4.6, 1.0 M 1,6-Hexanediol |