3KGF
The structure of 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase from Mycobacterium tuberculosis complexed with phenylalanine and tryptophan
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-12-14 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.542 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 204.537, 204.537, 66.462 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.670 - 2.000 |
| R-factor | 0.164 |
| Rwork | 0.163 |
| R-free | 0.19100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2b7o |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.318 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.500 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.064 | 0.381 |
| Number of reflections | 105425 | |
| <I/σ(I)> | 8.2 | 2.1 |
| Completeness [%] | 98.2 | 87.2 |
| Redundancy | 2.07 | 2.38 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 20mM BTP, 150mM NaCl, 0.5mM TCEP, 0.005%(v/v) Thesit, 0.2mM PEP, 0.1mM MnCl2, 0.1M Na HEPES, 0.8M NaK phosphate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291.0K |
