6ID6
Crystal structure of Rv0731c from Mycobacterium tuberculosis at 1.63 Angstroms.
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 | 2016-03-06 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97633 |
| Spacegroup name | I 4 |
| Unit cell lengths | 133.680, 133.680, 40.170 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.470 - 1.630 |
| R-factor | 0.1554 |
| Rwork | 0.154 |
| R-free | 0.18710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.706 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.6.3) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 38.470 | 38.470 | 1.660 |
| High resolution limit [Å] | 1.630 | 8.930 | 1.630 |
| Rmerge | 0.116 | 0.029 | 1.004 |
| Rmeas | 0.124 | 0.031 | 1.083 |
| Rpim | 0.043 | 0.011 | 0.402 |
| Total number of observations | 361801 | 2214 | 15611 |
| Number of reflections | 44735 | 303 | 2199 |
| <I/σ(I)> | 14.2 | 41 | 2.1 |
| Completeness [%] | 100.0 | 99 | 99.9 |
| Redundancy | 8.1 | 7.3 | 7.1 |
| CC(1/2) | 0.998 | 0.999 | 0.642 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | 200mM magnesium acetate, Tris-HCL pH 8.5, PEG 3350 |
