3SUL
Crystal structure of cerato-platanin 3 from M. perniciosa (MpCP3)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE D03B-MX1 |
| Synchrotron site | LNLS |
| Beamline | D03B-MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-01-25 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.42999 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 48.290, 48.290, 93.940 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 13.980 - 1.630 |
| R-factor | 0.23929 |
| Rwork | 0.238 |
| R-free | 0.26775 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3suj |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.230 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MrBUMP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.720 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.054 | 0.590 |
| Number of reflections | 16287 | |
| <I/σ(I)> | 25.5 | 4.3 |
| Completeness [%] | 99.2 | 98.4 |
| Redundancy | 13.2 | 13.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 0.1 M bis-tris propane pH 7.0, 1.5 M ammonium tartrate, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
