8HYB
Crystal structure of B1 IMP-1 MBL in complex with 2-amino-5-phenethylthiazole-4-carboxylic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 195 |
| Detector technology | PIXEL |
| Collection date | 2020-04-17 |
| Detector | DECTRIS PILATUS3 X CdTe 1M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.899, 201.103, 52.319 |
| Unit cell angles | 90.00, 89.97, 90.00 |
Refinement procedure
| Resolution | 19.342 - 2.193 |
| R-factor | 0.1782 |
| Rwork | 0.177 |
| R-free | 0.22720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.172 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.410 | 2.360 |
| High resolution limit [Å] | 1.380 | 2.060 |
| Rmerge | 0.105 | 0.699 |
| Number of reflections | 134737 | 20554 |
| <I/σ(I)> | 7.1 | |
| Completeness [%] | 99.9 | 99.93 |
| Redundancy | 6.11 | 2.48 |
| CC(1/2) | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M Sodium acetate, pH 4.5, 0.2 M Lithium sulfate, 20%-28% (v/v) Polyethylene glycol 8000 |
