2G1J
Crystal structure of Mycobacterium tuberculosis Shikimate Kinase at 2.0 angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-10-14 |
Detector | BRUKER PROTEUM 300 |
Wavelength(s) | 1.000 |
Spacegroup name | P 31 |
Unit cell lengths | 90.222, 90.222, 41.356 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.530 - 2.000 |
R-factor | 0.175 |
Rwork | 0.175 |
R-free | 0.20700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1l4u |
RMSD bond length | 0.007 |
RMSD bond angle | 2.000 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.071 | 0.212 |
Number of reflections | 24308 | |
<I/σ(I)> | 13.4 | 4.2 |
Completeness [%] | 96.1 | 91.1 |
Redundancy | 2.7 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 292 | 30% PEG5000, pH 6.5, VAPOR DIFFUSION, temperature 292K |