1M8A
Human MIP-3alpha/CCL20
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X9B |
Synchrotron site | NSLS |
Beamline | X9B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-01-25 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.98 |
Spacegroup name | P 61 |
Unit cell lengths | 70.822, 70.822, 71.768 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 15.000 - 1.700 |
R-factor | 0.1931 |
Rwork | 0.190 |
R-free | 0.23800 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1eqt |
RMSD bond length | 0.007 |
RMSD bond angle | 0.024 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.067 | 0.623 |
Total number of observations | 99101 * | |
Number of reflections | 21953 | |
<I/σ(I)> | 23.8 | 1.9 |
Completeness [%] | 97.5 | 96.8 |
Redundancy | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 12 * | isopropanol, sodium citrate, N-(2-hydroxyethyl)piperazine-N'-(2-ethanesulfonic acid), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 285K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 16 (mg/ml) | in water |
2 | 1 | reservoir | isopropanol | 20 (%) | |
3 | 1 | reservoir | trisodium citrate | 200 (mM) | |
4 | 1 | reservoir | HEPES | 100 (mM) | pH7.5 |