5ORM
Crystal structure of designed cPPR-Telo1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-06-11 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.96770 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.380, 87.100, 91.550 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.700 - 2.080 |
R-factor | 0.243 |
Rwork | 0.240 |
R-free | 0.28000 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.150 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.28) |
Phasing software | autoSHARP |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 86.400 | 86.400 | 2.130 |
High resolution limit [Å] | 2.080 | 9.300 | 2.080 |
Rmerge | 0.111 | 0.091 | 1.411 |
Rmeas | 0.117 | 0.096 | 1.581 |
Rpim | 0.035 | 0.029 | 0.695 |
Number of reflections | 40891 | 562 | 2415 |
<I/σ(I)> | 9.9 | ||
Completeness [%] | 96.9 | 99.9 | 79.8 |
Redundancy | 10.5 | 10.4 | 4.9 |
CC(1/2) | 0.998 | 0.995 | 0.674 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 298 | 100mM sodium acetate pH 4.6, 20mM calcium chloride, and 40% MPD |