3DU4
Crystal structure of 7-keto-8-aminopelargonic acid bound 7,8-diaminopelargonic acid synthase in bacillus subtilis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.541 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.692, 105.133, 75.063 |
| Unit cell angles | 90.00, 105.19, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.200 |
| R-factor | 0.20383 |
| Rwork | 0.201 |
| R-free | 0.26018 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dod |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.434 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.115 | 0.373 |
| Number of reflections | 43651 | |
| <I/σ(I)> | 7.2 | 2.8 |
| Completeness [%] | 99.4 | 95 |
| Redundancy | 4.22 | 3.48 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 20% PEG3350, 0.2M SODIUM THIOCYANATE, 5% XYLITOL, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
