4HC6
Mycobacterium tuberculosis Rv2523cE77A x-ray structure solved with 1.8 angstrom resolution
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-13 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.89844, 0.91901, 0.91928 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 73.272, 73.272, 73.272 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.580 - 1.800 |
| R-factor | 0.17721 |
| Rwork | 0.175 |
| R-free | 0.21204 |
| Structure solution method | MAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.469 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.083 | 0.436 |
| Number of reflections | 12446 | |
| <I/σ(I)> | 30.5 | 4.24 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.1 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 295 | 0.1 M sodium acetate trihydrate, 2.0 M sodium chloride, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
