8HFD
Crystal structure of allantoinase from E. coli BL21
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 05A |
| Synchrotron site | NSRRC |
| Beamline | TPS 05A |
| Temperature [K] | 298 |
| Detector technology | PIXEL |
| Collection date | 2022-08-19 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 203.158, 77.142, 144.847 |
| Unit cell angles | 90.00, 100.80, 90.00 |
Refinement procedure
| Resolution | 29.920 - 2.070 |
| R-factor | 0.2057 |
| Rwork | 0.205 |
| R-free | 0.24870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3e74 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.977 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.19.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.190 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Number of reflections | 132819 | 12965 |
| <I/σ(I)> | 7.39 | 2.14 |
| Completeness [%] | 99.0 | 97.21 |
| Redundancy | 3.5 | 3.2 |
| CC(1/2) | 0.992 | 0.855 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 298 | 20% PEG8000, 100 mM CHES, pH9.5 |
