1F0P
MYCOBACTERIUM TUBERCULOSIS ANTIGEN 85B WITH TREHALOSE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-04-06 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 73.210, 73.210, 92.544 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.194 |
| Rwork | 0.192 |
| R-free | 0.28500 * |
| Starting model (for MR) | APO ANTIGEN 85B (PDB CODE 1F0N) |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.020 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXL-97 |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.068 | 0.367 |
| Number of reflections | 23441 | |
| <I/σ(I)> | 22.5 | 7.7 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 7.6 | 7.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 294 | Ammonium sulfate, MPD, MES, trehalose, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 21K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | ammonium sulfate | 0.6-0.7 (M) | |
| 2 | 1 | reservoir | MPD | 22.5 (%) | |
| 3 | 1 | reservoir | Na-MES | 0.05 (M) | |
| 4 | 1 | reservoir | trehalose | 37 (%) |
