5YIT
Crystal Structure of Hypothetical protein (Rv3272) from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-09-25 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9858 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 542.400, 71.000, 49.550 |
| Unit cell angles | 90.00, 90.44, 90.00 |
Refinement procedure
| Resolution | 43.590 - 2.790 |
| R-factor | 0.23387 |
| Rwork | 0.231 |
| R-free | 0.28578 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vjq |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.552 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.590 | 2.890 |
| High resolution limit [Å] | 2.790 | 2.790 |
| Rmerge | 0.103 | 0.356 |
| Number of reflections | 45755 | 4303 |
| <I/σ(I)> | 7.86 | 2.97 |
| Completeness [%] | 96.9 | 79.3 |
| Redundancy | 3.7 | 2.97 |
| CC(1/2) | 0.990 | 0.920 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 100mM Tris-HCl, 100mM MgCl2, 20-25% PEG 6000 |
