3E53
Crystal structure of N-terminal domain of a Fatty Acyl AMP Ligase FAAL28 from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-09-10 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9792, 0.9800, 0.9776 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.972, 60.740, 136.540 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.350 |
| R-factor | 0.207 |
| Rwork | 0.207 |
| R-free | 0.26700 |
| Structure solution method | MAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.390 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.084 | 0.427 |
| Number of reflections | 18036 | |
| <I/σ(I)> | 21.87 | 3.36 |
| Completeness [%] | 99.7 | 95.9 |
| Redundancy | 6.3 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 295 | PEG3350, Sodium MES, B-mercaptoethanol, Lithium sulphate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
