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 |