3R9T
Structure of EchA1_1 from Mycobacterium paratuberculosis ATCC BAA-968 / K-10
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-01-23 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.092, 78.274, 75.552 |
| Unit cell angles | 90.00, 115.13, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.750 |
| R-factor | 0.1814 |
| Rwork | 0.180 |
| R-free | 0.20420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uiy |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.348 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 4.740 | 1.750 |
| Rmerge | 0.062 | 0.054 | 0.392 |
| Number of reflections | 72409 | ||
| <I/σ(I)> | 13.4 | ||
| Completeness [%] | 100.0 | 99.6 | 100 |
| Redundancy | 4.6 | 4.6 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 289 | 25% PEG1500, 0.1 M PCTP buffer, pH 9, cryoprotectant: 25% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
