1YBU
Mycobacterium tuberculosis adenylyl cyclase Rv1900c CHD, in complex with a substrate analog.
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 | 2003-01-01 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 1.0372 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 91.067, 48.923, 68.198 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.940 - 2.400 |
| R-factor | 0.233 |
| Rwork | 0.233 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ybt |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.500 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.071 | 0.291 |
| Number of reflections | 29564 | |
| <I/σ(I)> | 10.4 | 2.3 |
| Completeness [%] | 95.3 | 75.9 |
| Redundancy | 3.8 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | HEPES, PEG 1000, NaCl , pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
