3SUM
Crystal structure of cerato-platanin 5 from M. perniciosa (MpCP5)
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 | 2011-03-02 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.43701 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.670, 107.870, 112.680 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.870 |
| R-factor | 0.16802 |
| Rwork | 0.165 |
| R-free | 0.22330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3m3g |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.887 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.020 | 1.970 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.084 | 0.327 |
| Number of reflections | 50913 | |
| <I/σ(I)> | 13.2 | 4.4 |
| Completeness [%] | 99.8 | 99.6 |
| Redundancy | 6.3 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 0.1 M sodium acetate pH 5.5, 5% PEG 400, 18% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
