4U8D
X-ray structure of Mg-bound human sorcin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-12-10 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 117.832, 117.832, 86.880 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.760 - 2.300 |
R-factor | 0.1998 |
Rwork | 0.197 |
R-free | 0.24860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4upg |
RMSD bond length | 0.012 |
RMSD bond angle | 1.458 |
Data reduction software | XDS (January 10, 2014) |
Data scaling software | Aimless (0.2.8) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.760 | 48.760 | 2.380 |
High resolution limit [Å] | 2.300 | 8.910 | 2.300 |
Rmerge | 0.099 | 0.020 | 0.938 |
Rpim | 0.029 | 0.006 | 0.278 |
Total number of observations | 356554 | 6502 | 32018 |
Number of reflections | 27800 | ||
<I/σ(I)> | 24 | 96.1 | 2.9 |
Completeness [%] | 99.9 | 99.5 | 98.9 |
Redundancy | 12.8 | 11.4 | 12.1 |
CC(1/2) | 0.999 | 1.000 | 0.880 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | PEG 8000 10%, Mg(OAc)2 0.2M, cacodylate 0.1M pH 6.5 |