4PMR
Crystal structure of the Mycobacterium tuberculosis Tat-secreted protein Rv2525c in complex with HEPES (monoclinic crystal form II)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9198 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 81.980, 62.500, 38.730 |
| Unit cell angles | 90.00, 109.84, 90.00 |
Refinement procedure
| Resolution | 48.560 - 1.810 |
| R-factor | 0.1713 |
| Rwork | 0.169 |
| R-free | 0.21360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pmn |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.940 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.560 | 1.840 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rmerge | 0.155 | 0.916 |
| Number of reflections | 16674 | |
| <I/σ(I)> | 8.3 | 1.2 |
| Completeness [%] | 98.2 | 82.2 |
| Redundancy | 3.6 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 1.26 M tri-sodium citrate, 90 mM Hepes-Na pH 7.5, 10% glycerol |
