3T44
Crystal structure of Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS) in complex with indole glycerol phosphate (IGP) amd anthranilate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-08-02 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9771 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.553, 53.222, 86.855 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.610 - 1.600 |
R-factor | 0.1505 |
Rwork | 0.148 |
R-free | 0.19500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1igs |
RMSD bond length | 0.010 |
RMSD bond angle | 1.287 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.630 |
High resolution limit [Å] | 1.600 | 4.340 | 1.600 |
Rmerge | 0.112 | 0.062 | 0.454 |
Number of reflections | 28784 | ||
<I/σ(I)> | 10 | 25.62 | 5.48 |
Completeness [%] | 99.8 | 96.6 | 100 |
Redundancy | 7.1 | 6.6 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 0.1M Sodium acetate trihydrate, 2.0 ammonium sulfate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |