8H2D
The hypothetical protein from Mycobacterium tuberculosis mutant - E47A
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] | 100 |
Detector technology | PIXEL |
Collection date | 2021-04-15 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.0000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 60.741, 99.050, 89.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.860 - 2.900 |
R-factor | 0.2211 |
Rwork | 0.219 |
R-free | 0.26120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8h0h |
RMSD bond length | 0.004 |
RMSD bond angle | 0.710 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.070 |
High resolution limit [Å] | 2.900 | 2.900 |
Number of reflections | 6247 | 970 |
<I/σ(I)> | 19.79 | |
Completeness [%] | 99.9 | |
Redundancy | 12.81 | |
CC(1/2) | 0.999 | 0.886 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 297 | 0.1 M Tris, pH 8.5, 0.2 M ammonium sulfate and 25% (w/v) PEG 3350 |