8W4N
Crystal structure of EndoSz mutant D234M, in space group P21, in complex with oligosaccharide G2S1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 05A |
| Synchrotron site | NSRRC |
| Beamline | TPS 05A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-08-14 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.589, 101.692, 129.802 |
| Unit cell angles | 90.00, 90.72, 90.00 |
Refinement procedure
| Resolution | 28.330 - 3.100 |
| R-factor | 0.2309 |
| Rwork | 0.227 |
| R-free | 0.27270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.673 |
| 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] | 28.330 | 3.210 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Number of reflections | 24061 | 2397 |
| <I/σ(I)> | 5 | |
| Completeness [%] | 98.2 | |
| Redundancy | 1.8 | |
| CC(1/2) | 0.988 | 0.540 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1 mM sodium citrate pH 5.4 and 2.2 M ammonium sulfate |
