6TV0
Serratia spp. cyanase hydratase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-25 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.793, 93.140, 111.193 |
| Unit cell angles | 90.00, 95.74, 90.00 |
Refinement procedure
| Resolution | 71.640 - 1.960 |
| R-factor | 0.1784 |
| Rwork | 0.176 |
| R-free | 0.21850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4y42 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.737 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 71.640 | 2.170 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rpim | 0.089 | 0.560 |
| Number of reflections | 91837 | 4590 |
| <I/σ(I)> | 5.6 | 1.6 |
| Completeness [%] | 72.3 | 14 |
| Redundancy | 6.6 | 6.4 |
| CC(1/2) | 0.991 | 0.614 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 297 | 15% (w/v) polyethylene glycol 6000, 5% (v/v) glycerol |
