4RYE
The crystal structure of D-ALANYL-D-ALANINE CARBOXYPEPTIDASE from Mycobacterium tuberculosis H37Rv
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97935 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 88.485, 88.485, 493.905 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.617 - 1.901 |
| R-factor | 0.1747 |
| Rwork | 0.173 |
| R-free | 0.20450 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.031 |
| Data reduction software | DENZO (Builder/HKL3000) |
| Data scaling software | SCALEPACK (Builder/HKL3000) |
| Phasing software | SHELXD (Builder/HKL3000) |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.085 | 0.583 |
| Number of reflections | 91668 | |
| <I/σ(I)> | 21.5 | 2.1 |
| Completeness [%] | 99.7 | 99.4 |
| Redundancy | 7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 1.1M Ammonium tartrate Dibasic, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
