1BVQ
THREE-DIMENSIONAL STRUCTURE OF 4-HYDROXYBENZOYL COA THIOESTERASE FROM PSEUDOMONAS SP. STRAIN CBS-3.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 277 |
| Detector technology | AREA DETECTOR |
| Collection date | 1997-03-15 |
| Detector | SIEMENS |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 49.600, 56.000, 93.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.188 * |
| Structure solution method | MIR |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.650 |
| Data reduction software | XDS |
| Data scaling software | XCALIBRE |
| Refinement software | TNT (5E) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.090 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.040 | 0.135 |
| Number of reflections | 8775 | |
| Completeness [%] | 96.0 | 90 |
| Redundancy | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 7 | 4 * | 0.9 M AMMONIUM SULFATE 1.0 % 2-METHYL-2,4-PENTADIOL 50 MM HEPES PH 7.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | ammonium sulfate | 0.9 (M) | |
| 2 | 1 | 1 | MPD | 1 (%(v/v)) | |
| 3 | 1 | 1 | HEPES | 50 (mM) | |
| 4 | 1 | 1 | 5 (mM) |
