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 |