6LE2
Structure of D-carbamoylase mutant from Nitratireductor indicus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-11-11 |
| Detector | BRUKER SMART 6500 |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 95.320, 95.320, 258.570 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.660 - 2.140 |
| R-factor | 0.1827 |
| Rwork | 0.180 |
| R-free | 0.22870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fo6 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.838 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.17_3644) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.660 | 2.200 |
| High resolution limit [Å] | 2.140 | 2.140 |
| Rmerge | 0.124 | 2.364 |
| Number of reflections | 39298 | 39380 |
| <I/σ(I)> | 23.7 | |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 38.2 | 20.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | PEG 4000, Sodium phosphate pH 6.5, Sodium chloride |
