5ZC2
Acinetobacter baumannii p-hydroxyphenylacetate 3-hydroxylase (HPAH), reductase component (C1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-03-29 |
| Detector | Nonius Kappa CCD |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 76.851, 76.851, 185.784 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.337 - 2.898 |
| R-factor | 0.2552 |
| Rwork | 0.253 |
| R-free | 0.28890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (2.7.17) |
| Refinement software | PHENIX (1.13_2998: ???) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.000 |
| High resolution limit [Å] | 2.898 | 6.240 | 2.900 |
| Rmerge | 0.144 | 0.068 | 0.448 |
| Number of reflections | 14373 | 1620 | 1275 |
| <I/σ(I)> | 10.1 | ||
| Completeness [%] | 97.1 | 99.7 | 89.4 |
| Redundancy | 4.3 | 7.5 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.1M HEPES pH 7.5, 1.0M sodium citrate trihydrate, 2mM HPA. |
