4XT6
Crystal structure of Rv2671 from Mycobacterium tuberculosis in complex with the tetrahydropteridine ring of tetrahydrofolate (THF)
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 | 2013-02-27 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97918 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 70.428, 96.016, 76.107 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.612 - 1.850 |
| R-factor | 0.199 |
| Rwork | 0.197 |
| R-free | 0.24210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p4g |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.229 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.880 |
| High resolution limit [Å] | 1.850 | 5.020 | 1.850 |
| Rmerge | 0.053 | 0.033 | 0.274 |
| Rmeas | 0.056 | 0.035 | 0.290 |
| Rpim | 0.019 | 0.013 | 0.095 |
| Total number of observations | 194557 | ||
| Number of reflections | 22264 | ||
| <I/σ(I)> | 15.1 | ||
| Completeness [%] | 99.4 | 90.8 | 100 |
| Redundancy | 8.7 | 7.5 | 9 |
| CC(1/2) | 0.998 | 0.984 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 0.2M Sodium chloride, 25% PEG 3350, 0.1M Bis-Tris pH 6.5 |
