4QVH
Crystal structure of the essential Mycobacterium tuberculosis phosphopantetheinyl transferase PptT, solved as a fusion protein with maltose binding protein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2013-12-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 77.699, 126.029, 143.960 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 94.830 - 1.750 |
R-factor | 0.15629 |
Rwork | 0.154 |
R-free | 0.19052 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.019 |
RMSD bond angle | 1.922 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 94.830 |
High resolution limit [Å] | 1.750 |
Rmerge | 0.132 |
Number of reflections | 141763 |
<I/σ(I)> | 10.5 |
Completeness [%] | 99.4 |
Redundancy | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 1.6M Na citrate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |