3NUD
The structure of 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase from mycobacterium tuberculosis complexed with phenylalanine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 123 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-05-24 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.542 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 204.650, 204.650, 66.610 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.550 - 3.000 |
| R-factor | 0.21517 |
| Rwork | 0.212 |
| R-free | 0.26940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2b7o |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.160 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.600 | 3.077 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.164 | 0.344 |
| Number of reflections | 31363 | |
| <I/σ(I)> | 5.6 | 3 |
| Completeness [%] | 97.2 | 97.2 |
| Redundancy | 2.63 | 2.68 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 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 295K |
