4XBZ
Crystal Structure of EvdO1 from Micromonospora carbonacea var. aurantiaca
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-08-04 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 91.615, 109.432, 146.050 |
| Unit cell angles | 90.00, 108.27, 90.00 |
Refinement procedure
| Resolution | 46.316 - 2.300 |
| R-factor | 0.1857 |
| Rwork | 0.183 |
| R-free | 0.23720 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.071 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX (AutoSol) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 6.240 | 2.300 |
| Rmerge | 0.086 | 0.036 | 0.443 |
| Rmeas | 0.101 | 0.042 | 0.538 |
| Rpim | 0.051 | 0.021 | 0.301 |
| Total number of observations | 456961 | ||
| Number of reflections | 120971 | ||
| <I/σ(I)> | 7.5 | ||
| Completeness [%] | 99.5 | 99.3 | 99.1 |
| Redundancy | 3.8 | 3.7 | 3.1 |
| CC(1/2) | 0.998 | 0.788 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.1 | 293 | 100 mM sodium citrate, 13% PEG8000, crystals soaked with 2 mM NiCl2 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.1 | 293 | 100 mM sodium citrate, 13% PEG8000, crystals soaked with 2 mM NiCl2 |
