3R9P
Crystal structure of AckA 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 | 2011-03-04 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 83.254, 99.507, 103.871 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.900 |
R-factor | 0.17275 |
Rwork | 0.171 |
R-free | 0.20173 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.209 |
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] | 50.000 | 50.000 | 1.930 |
High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
Rmerge | 0.081 | 0.026 | 0.443 |
Number of reflections | 68749 | ||
<I/σ(I)> | 11.4 | ||
Completeness [%] | 100.0 | 99.6 | 100 |
Redundancy | 6.5 | 6.3 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 289 | 0.1 MIB buffer, 25% PEG 1500, Cryo 25% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 289K |