7PZG
Phocaeicola vulgatus sialic acid esterase at 1.44 Angstrom resolution
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-03-12 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.269, 90.150, 76.579 |
| Unit cell angles | 90.00, 99.29, 90.00 |
Refinement procedure
| Resolution | 70.434 - 1.440 |
| Rwork | 0.177 |
| R-free | 0.20300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6njc |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.835 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.434 | 1.460 |
| High resolution limit [Å] | 1.440 | 1.440 |
| Number of reflections | 168248 | 7900 |
| <I/σ(I)> | 18.3 | |
| Completeness [%] | 97.7 | |
| Redundancy | 6.8 | |
| CC(1/2) | 1.000 | 0.712 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 18 % (w/v) PEG 3350, 200 mM sodium malonate pH 4.5 |
