5ZBF
Crystal structure of 4-hydroxyphenylpyruvic acid bound AerE from Microcystis aeruginosa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-04-27 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97923 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 34.804, 40.103, 148.704 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.000 - 1.600 |
| R-factor | 0.15466 |
| Rwork | 0.152 |
| R-free | 0.19513 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.266 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.098 | 0.911 |
| Rpim | 0.041 | 0.367 |
| Number of reflections | 27973 | 1335 |
| <I/σ(I)> | 22.642 | 3.165 |
| Completeness [%] | 99.0 | 100 |
| Redundancy | 6.9 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 285 | 0.2M Ammonium acetate, 0.1M MES monohydrate pH 6.5, 22%(w/v) PEG 5000 MME |
