1W0D
The high resolution structure of Mycobacterium tuberculosis LeuB (Rv2995c)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7B |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MAR scanner 345 mm plate |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.470, 97.060, 181.910 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.650 |
R-factor | 0.213 |
Rwork | 0.213 |
R-free | 0.24100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.731 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.000 | 1.680 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.072 | 0.667 |
Number of reflections | 167255 | |
<I/σ(I)> | 17.6 | 2.2 |
Completeness [%] | 94.1 | 97.1 |
Redundancy | 5.3 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | pH 8.00 |