5DAZ
Crystal structure of Scabin, a mono-ADP-ribosyltransferase from Streptomyces scabies
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-04-21 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 87.787, 61.075, 37.812 |
| Unit cell angles | 90.00, 99.64, 90.00 |
Refinement procedure
| Resolution | 43.270 - 1.450 |
| R-factor | 0.1668 |
| Rwork | 0.165 |
| R-free | 0.20210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cb4 |
| RMSD bond length | 0.033 |
| RMSD bond angle | 2.810 |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 43.273 | 1.540 | |
| High resolution limit [Å] | 1.450 | 4.320 | 1.450 |
| Rmerge | 0.042 | 0.027 | 0.764 |
| Rmeas | 0.048 | 0.031 | 0.876 |
| Total number of observations | 141816 | ||
| Number of reflections | 33118 | 1355 | 4558 |
| <I/σ(I)> | 18.81 | 49.43 | 2.15 |
| Completeness [%] | 94.4 | 99 | 81 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 100 mM MES, pH 6.5, 15% PEG400 |
