8Z9B
Low molecular weight antigen MTB12
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 125 |
Detector technology | PIXEL |
Collection date | 2023-12-11 |
Detector | STFC Large Pixel Detector |
Wavelength(s) | 0.97942 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 100.670, 100.670, 98.530 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.840 - 2.680 |
Rwork | 0.278 |
R-free | 0.30400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | AlphaFold |
RMSD bond length | 0.016 |
RMSD bond angle | 1.813 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.840 | 2.776 |
High resolution limit [Å] | 2.680 | 2.680 |
Number of reflections | 14762 | 1447 |
<I/σ(I)> | 22.6 | |
Completeness [%] | 99.8 | |
Redundancy | 26.1 | |
CC(1/2) | 0.999 | 0.768 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 1.8 M Ammonium sulfate, 0.1 M Citric acid pH 3.7 |