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 |