1B9I
CRYSTAL STRUCTURE OF 3-AMINO-5-HYDROXYBENZOIC ACID (AHBA) SYNTHASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX7.2 |
| Synchrotron site | SRS |
| Beamline | PX7.2 |
| Temperature [K] | 133 |
| Wavelength(s) | 1.4888 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 89.630, 89.630, 126.570 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.225 |
| Rwork | 0.222 |
| R-free | 0.27200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 0.040 |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.300 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.089 | 0.177 |
| Number of reflections | 38950 | |
| <I/σ(I)> | 5.1 | 4 |
| Completeness [%] | 96.3 | 89 |
| Redundancy | 6.6 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | 18 * | pH 7.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 11 (mg/ml) | |
| 2 | 1 | drop | HEPES | 50 (mM) | |
| 3 | 1 | drop | 0.05 (%) | ||
| 4 | 1 | drop | PLP | 0.5 (mM) | |
| 5 | 1 | reservoir | HEPES | 100 (mM) | |
| 6 | 1 | reservoir | ammonium sulfate | 1.7 (M) | |
| 7 | 1 | reservoir | PEG400 | 3-8 (%) |
