4P4G
Crystal Structure of Mycobacterium tuberculosis Shikimate Dehydrogenase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-22 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.92 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.467, 75.553, 129.708 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.210 - 1.700 |
R-factor | 0.1864 |
Rwork | 0.185 |
R-free | 0.22810 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.103 |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.730 |
High resolution limit [Å] | 1.700 | 4.610 | 1.700 |
Rmerge | 0.088 | 0.037 | 0.608 |
Total number of observations | 656357 | ||
Number of reflections | 47838 | ||
<I/σ(I)> | 9.8 | ||
Completeness [%] | 99.1 | 100 | 89.9 |
Redundancy | 7.3 | 7.8 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 291 | 0.08 M sodium citrate pH 6.2, 1.54 M (NH4)2SO4, 2.7 % 1,6-hexanediol, 0.1 M guanidine HCl |