7EE4
Crystal structure of Neu5Ac bound PltC
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-06-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9792 |
Spacegroup name | H 3 |
Unit cell lengths | 189.447, 189.447, 41.526 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.180 - 1.400 |
R-factor | 0.152 |
Rwork | 0.151 |
R-free | 0.17180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wht |
RMSD bond length | 0.019 |
RMSD bond angle | 1.748 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.180 | 1.450 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmeas | 0.070 | 0.382 |
Number of reflections | 109189 | 10912 |
<I/σ(I)> | 43.53 | |
Completeness [%] | 99.7 | |
Redundancy | 4.5 | 3.4 |
CC(1/2) | 0.995 | 0.848 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | 34% PEG500MME and 0.1M sodium citrate |