3I6D
Crystal structure of PPO from bacillus subtilis with AF
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-05-27 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.9796 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 96.175, 96.175, 299.823 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.920 - 2.900 |
R-factor | 0.272 |
Rwork | 0.272 |
R-free | 0.29300 |
Structure solution method | molecular replacement combined with SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.500 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXS |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.068 | 0.533 |
Number of reflections | 35093 | |
<I/σ(I)> | 25.7 | 1.95 |
Completeness [%] | 98.4 | 85.8 |
Redundancy | 9 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | ammonium phosphate dibasic, Tris-HCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | ammonium phosphate dibasic, Tris-HCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |