7PZH
Phocaeicola vulgatus sialic acid esterase at 2.06 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 X 16M |
| Wavelength(s) | 0.97624 |
| Spacegroup name | P 61 |
| Unit cell lengths | 93.233, 93.233, 353.623 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 80.742 - 2.060 |
| Rwork | 0.185 |
| R-free | 0.22580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6njc |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.646 |
| 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] | 80.740 | 2.100 |
| High resolution limit [Å] | 2.060 | 2.060 |
| Number of reflections | 106903 | 5267 |
| <I/σ(I)> | 11.2 | |
| Completeness [%] | 100.0 | |
| Redundancy | 20.5 | |
| CC(1/2) | 0.998 | 0.540 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 12.5 % w/v PEG 1000, 12.5 % w/v PEG 3350, 12.5 % v/v MPD, sodium nitrate, 0.03 M sodium phosphate, 0.03 M ammonium sulphate, 0.1 M MOPS/HEPES-Na pH 7.5 |
