1IUW
P-HYDROXYBENZOATE HYDROXYLASE COMPLEXED WITH 4-4-HYDROXYBENZOATE AT PH 7.4
Experimental procedure
| Temperature [K] | 295 |
| Detector technology | AREA DETECTOR |
| Detector | XUONG-HAMLIN MULTIWIRE |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 71.790, 146.590, 88.120 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.000 |
| R-factor | 0.172 |
| Rwork | 0.172 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.551 |
| Data reduction software | SDMS |
| Data scaling software | SDMS |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 2.150 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.090 | 0.284 |
| Number of reflections | 31420 | |
| <I/σ(I)> | 7.95 | 3.1 |
| Completeness [%] | 99.1 | 98.82 |
| Redundancy | 11.6 | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | interface diffusion * | 7.4 | 4-23 * | pH 7.4 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | PHBH | 10 (mg/ml) | 0.005ml |
| 2 | 1 | 1 | potassium phosphate | 0.1 (M) | |
| 3 | 1 | 1 | p-OHB | 2 (mM) | |
| 4 | 1 | 1 | FAD | 0.004 (mM) | |
| 5 | 1 | 1 | glutathione | 0.2 (mM) | |
| 6 | 1 | 2 | ammonium sulfate | 71 (%sat) | |
| 7 | 1 | 2 | potassium phosphate | 0.1 (M) |
