3ST1
Crystal structure of Necrosis and Ethylene inducing Protein 2 from the causal agent of cocoa's Witches Broom disease
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 | 2011-06-09 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.608 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 89.480, 44.210, 60.170 |
| Unit cell angles | 90.00, 110.04, 90.00 |
Refinement procedure
| Resolution | 14.520 - 1.800 |
| R-factor | 0.14226 |
| Rwork | 0.139 |
| R-free | 0.19578 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gnu |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.869 |
| 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] | 14.520 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.049 | 0.170 |
| Number of reflections | 19327 | |
| <I/σ(I)> | 7.9 | 7.9 |
| Completeness [%] | 93.9 | 84.2 |
| Redundancy | 5.1 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 291 | 100 mM Sodium Acetate pH 5.0 20% PEG 6000 20 mM ZnCl2, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
