4KLX
Crystal structure of dihydrofolate reductase from Mycobacterium tuberculosis in an open conformation.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-04 |
| Detector | ADSC QUANTUM 1 |
| Wavelength(s) | 0.93340 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 32.410, 63.060, 78.160 |
| Unit cell angles | 90.00, 100.82, 90.00 |
Refinement procedure
| Resolution | 19.870 - 1.230 |
| R-factor | 0.1835 |
| Rwork | 0.180 |
| R-free | 0.24380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.480 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 76.770 | 19.870 | 1.300 |
| High resolution limit [Å] | 1.230 | 3.890 | 1.230 |
| Rmerge | 0.057 | 0.474 | |
| Total number of observations | 9318 | 41584 | |
| Number of reflections | 88928 | ||
| <I/σ(I)> | 7 | 9.5 | 1.6 |
| Completeness [%] | 99.3 | 98.7 | 97.9 |
| Redundancy | 3.3 | 3.2 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 8% PEG 4000, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
