1F0N
MYCOBACTERIUM TUBERCULOSIS ANTIGEN 85B
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-01-14 |
Detector | ADSC |
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 - 1.800 |
R-factor | 0.1941 |
Rwork | 0.194 |
R-free | 0.27600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | ANTIGEN 85C RONNING ET AL. (2000) NAT.STRUCT.BIOL. 7(2) 141-146. |
RMSD bond length | 0.012 |
RMSD bond angle | 0.034 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.112 | 0.186 |
Number of reflections | 26822 | |
<I/σ(I)> | 12.7 | 6 |
Completeness [%] | 97.6 | 97.4 |
Redundancy | 4.8 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 294 | Ammonium sulfate, MES, MPD, 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) |