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 |