4PMN
Crystal structure of the Mycobacterium tuberculosis Tat-secreted protein Rv2525c in complex with MES (monoclinic crystal form I)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-12-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9787 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.050, 73.770, 76.065 |
| Unit cell angles | 90.00, 131.87, 90.00 |
Refinement procedure
| Resolution | 37.250 - 1.440 |
| R-factor | 0.1629 |
| Rwork | 0.162 |
| R-free | 0.18090 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.930 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | SHELX |
| Refinement software | BUSTER (2.11.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.250 | 1.470 |
| High resolution limit [Å] | 1.440 | 1.440 |
| Rmerge | 0.035 | 0.316 |
| Number of reflections | 68164 | |
| <I/σ(I)> | 19.5 | 3.4 |
| Completeness [%] | 92.6 | 58.7 |
| Redundancy | 3.6 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 291 | 2 M Na formate, 100 mM sodium Acetate pH 4.6 |
