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 |