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 |