6IEO
Crystal structure of Mycobacterium tuberculosis HtrA1 (Rv1223) in regulated conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-28 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.9660 |
| Spacegroup name | H 3 |
| Unit cell lengths | 107.114, 107.114, 61.529 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.040 - 1.830 |
| Rwork | 0.191 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1y8t |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.359 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.040 | 1.890 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.090 | |
| Rmeas | 0.115 | |
| Rpim | 0.071 | 0.729 |
| Number of reflections | 23356 | 2197 |
| <I/σ(I)> | 8.5 | 1.2 |
| Completeness [%] | 99.7 | 96.8 |
| Redundancy | 4.6 | 4.5 |
| CC(1/2) | 0.996 | 0.517 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | 0.1M HEPES, 1.4M Sodium Citrate tribasic dihydrate pH 7.5 |
