7ZJT
Crystal structure of HsaD from Mycobacterium tuberculosis at 1.96 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-24 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.953725 |
| Spacegroup name | P 2 2 21 |
| Unit cell lengths | 76.810, 87.416, 106.182 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.380 - 1.960 |
| R-factor | 0.1849 |
| Rwork | 0.183 |
| R-free | 0.21890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vf2 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.555 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.380 | 45.380 | 2.010 |
| High resolution limit [Å] | 1.960 | 8.980 | 1.960 |
| Rmerge | 0.148 | 0.031 | 1.165 |
| Rmeas | 0.156 | 0.033 | 1.228 |
| Rpim | 0.047 | 0.011 | 0.378 |
| Number of reflections | 51930 | 634 | 3434 |
| <I/σ(I)> | 13.8 | 44.1 | 2.1 |
| Completeness [%] | 99.6 | 99.3 | 94.4 |
| Redundancy | 10.5 | 9 | 9.9 |
| CC(1/2) | 0.998 | 0.999 | 0.653 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | MES Sodium 0.1 M NH4SO4 1.5 M PEG400 10% |
