5ZBE
Crystal structure of 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 | 2014-12-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97907 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 34.770, 62.133, 87.401 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.000 - 1.600 |
| R-factor | 0.16557 |
| Rwork | 0.163 |
| R-free | 0.20770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3h7j |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.544 |
| 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] | 50.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.071 | 0.683 |
| Rpim | 0.031 | 0.292 |
| Number of reflections | 25640 | 1241 |
| <I/σ(I)> | 27.3 | 3.5 |
| Completeness [%] | 99.4 | 99.3 |
| Redundancy | 6.6 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 285 | 0.2M ammonium acetate, 0.1M sodium acetate dihydrate pH 5.6, 20%(w/v) PEG 4000 |
