1B9H
CRYSTAL STRUCTURE OF 3-AMINO-5-HYDROXYBENZOIC ACID (AHBA) SYNTHASE
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 133 |
| Wavelength(s) | 1.5418,1.008,0.832 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 89.700, 89.700, 127.700 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 2.000 |
| R-factor | 0.218 |
| Rwork | 0.215 |
| R-free | 0.25200 |
| Structure solution method | MIR |
| RMSD bond length | 0.015 |
| RMSD bond angle | 0.039 |
| Phasing software | SHARP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.037 * | 0.203 * |
| Number of reflections | 65659 | |
| <I/σ(I)> | 18.6 | |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 1.9 |
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 (%) |
