1RTE
X-ray Structure of Cyanide Derivative of Truncated Hemoglobin N (trHbN) from Mycobacterium Tuberculosis
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 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.93 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.567, 61.443, 91.294 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.300 - 2.000 |
| R-factor | 0.18238 |
| Rwork | 0.179 |
| R-free | 0.23709 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.331 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.137 | 0.236 |
| Number of reflections | 17605 | |
| <I/σ(I)> | 11 | 4 |
| Completeness [%] | 99.5 | 98.6 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | ammonium sulfate, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
