4DZI
Crystal structure of amidohydrolase map2389c (target EFI-500390) from Mycobacterium avium subsp. paratuberculosis K-10
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-11-11 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 75.106, 136.131, 93.229 |
Unit cell angles | 90.00, 113.09, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.600 |
R-factor | 0.16661 |
Rwork | 0.166 |
R-free | 0.20264 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.420 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | SHELX |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.000 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.951 | |
Number of reflections | 225292 | |
<I/σ(I)> | 9.5 | 2 |
Completeness [%] | 92.9 | 81.4 |
Redundancy | 6.2 | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 0.1M TRIS-HCL, PH 8.5, 0.2M MAGNESIUM CHLORIDE, 0.2M CADMIUM CHLORIDE, 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |