8RJ0
Crystal structure of mutant aspartase from Bacillus sp. YM55-1 in the closed loop conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-07-26 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9654 |
| Spacegroup name | P 21 2 21 |
| Unit cell lengths | 75.866, 98.992, 136.451 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.570 - 1.900 |
| R-factor | 0.17103 |
| Rwork | 0.169 |
| R-free | 0.20670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.129 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.500 | 2.040 |
| High resolution limit [Å] | 1.900 | 2.000 |
| Rmerge | 0.067 | 0.884 |
| Rmeas | 0.076 | 0.996 |
| Rpim | 0.035 | 0.448 |
| Total number of observations | 21371 | |
| Number of reflections | 76673 | 4448 |
| <I/σ(I)> | 12.3 | 1.8 |
| Completeness [%] | 99.3 | |
| Redundancy | 4.5 | 4.8 |
| CC(1/2) | 0.998 | 0.627 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.15 M NaCl, 28% PEG Smear Medium |
