2C2Y
Three Dimensional Structure of bifunctional methylenetetrahydrofolate dehydrogenase-cyclohydrolase from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-06-20 |
| Detector | MARRESEARCH |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 87.797, 87.797, 113.108 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.300 |
| R-factor | 0.194 |
| Rwork | 0.192 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1b0a |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.133 |
| 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 | 2.380 |
| High resolution limit [Å] | 2.020 | 2.270 |
| Rmerge | 0.110 | 0.520 |
| Number of reflections | 29334 | |
| <I/σ(I)> | 22.6 | 5.5 |
| Completeness [%] | 98.6 | 99.9 |
| Redundancy | 13.3 | 13.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | PEG 2000MME , TRIS-HCL, pH 7.00 |
