4KL9
Crystal structure of dihydrofolate reductase from Mycobacterium tuberculosis in the space group C2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-08 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97160 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 67.580, 73.590, 36.830 |
| Unit cell angles | 90.00, 98.77, 90.00 |
Refinement procedure
| Resolution | 23.030 - 1.390 |
| R-factor | 0.157 |
| Rwork | 0.155 |
| R-free | 0.20180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.388 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.15) |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.457 | 24.729 | 1.460 |
| High resolution limit [Å] | 1.390 | 4.380 | 1.390 |
| Rmerge | 0.020 | 0.586 | |
| Total number of observations | 4184 | 19297 | |
| Number of reflections | 36064 | ||
| <I/σ(I)> | 15.3 | 25.7 | 1.3 |
| Completeness [%] | 99.9 | 97 | 100 |
| Redundancy | 3.8 | 3.6 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | Mes, PEGMME 2000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
