2C2X
Three dimensional structure of bifunctional methylenetetrahydrofolate dehydrogenase-cyclohydrolase from Mycobacterium tuberculosis
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 | 2005-07-07 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.511, 86.760, 111.539 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 111.800 - 2.000 |
| R-factor | 0.208 |
| Rwork | 0.206 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1b0a |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.323 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.080 |
| High resolution limit [Å] | 2.010 | 2.010 |
| Rmerge | 0.120 | 0.430 |
| Number of reflections | 39466 | |
| <I/σ(I)> | 20.7 | 3.95 |
| Completeness [%] | 97.0 | 71 |
| Redundancy | 6.6 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | PEG1000, TRIS-HCL, pH 7.00 |
