6C6D
20mer crystal structure of CC chemokine 5 (CCL5)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-04-23 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97918 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 119.866, 322.783, 157.512 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.114 - 5.500 |
R-factor | 0.2502 |
Rwork | 0.248 |
R-free | 0.28580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5l2u |
RMSD bond length | 0.003 |
RMSD bond angle | 0.718 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 5.590 |
High resolution limit [Å] | 5.500 | 5.500 |
Rmerge | 0.200 | 0.600 |
Rmeas | 0.213 | 0.640 |
Rpim | 0.066 | 0.220 |
Number of reflections | 10103 | 393 |
<I/σ(I)> | 10 | |
Completeness [%] | 97.6 | 77.8 |
Redundancy | 10.2 | 7.3 |
CC(1/2) | 1.000 | 0.972 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 303.15 | 10% (v/v) 2-propanol, 0.1M HEPES pH 7.5, 0.2M NaCl |