3LWB
Crystal Structure of apo D-alanine:D-alanine Ligase (Ddl) from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-12-16 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.96411 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.720, 108.302, 69.064 |
| Unit cell angles | 90.00, 99.92, 90.00 |
Refinement procedure
| Resolution | 19.203 - 2.100 |
| Rwork | 0.173 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | homology model derived from PDB ENTRY 2I87 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.622 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.170 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.052 | 0.406 |
| Number of reflections | 40957 | |
| <I/σ(I)> | 10.5 | 2.7 |
| Completeness [%] | 93.9 | 84.9 |
| Redundancy | 3.6 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | Well solution consisted of 20% PEG 3350, 0.1M potassium nitrate. 1uL of well solution was mixed with 1uL protein solution (10mg/mL) and equilibrated over 500uL well solution., pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
