1HZP
Crystal Structure of the Myobacterium Tuberculosis Beta-Ketoacyl-Acyl Carrier Protein Synthase III
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 113 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS II |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.082, 54.779, 89.152 |
| Unit cell angles | 90.00, 90.30, 90.00 |
Refinement procedure
| Resolution | 30.380 - 2.100 |
| R-factor | 0.222 |
| Rwork | 0.222 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | poly alanine chain based on residues 1-317 from E Coli FabH (RCSB entry 1EBL) |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.400 |
| Data reduction software | bioteX |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.119 | 0.688 |
| Number of reflections | 37503 | |
| <I/σ(I)> | 8.3 | 1.8 |
| Completeness [%] | 99.4 | 82 * |
| Redundancy | 3 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 298 | PEG4000, Tris/HCl. 300mM NaCl, glycerol, 10mM CaCl2, pH 8.0, VAPOR DIFFUSION, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | enzyme | 4 (mg/ml) | |
| 10 | 1 | reservoir | PEG4000 | 17-26 (%) | |
| 2 | 1 | drop | Tris-HCl | 50 (mM) | |
| 3 | 1 | drop | 300 (mM) | ||
| 4 | 1 | drop | glycerol | 40 (%) | |
| 5 | 1 | drop | dithiothreitol | 2 (mM) | |
| 6 | 1 | drop | PEG4000 | 30 (%) | |
| 7 | 1 | drop | Tris-HCl | 100 (mM) | |
| 8 | 1 | drop | 300 (mM) | ||
| 9 | 1 | drop | 10 (mM) |
