7O2N
Crystal structure of B. subtilis UGPase YngB
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-12-08 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 54.156, 158.979, 180.317 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.290 - 2.800 |
| R-factor | 0.2157 |
| Rwork | 0.213 |
| R-free | 0.26440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7b1r |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.672 |
| Data reduction software | XDS |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.290 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmeas | 0.065 | 0.397 |
| Number of reflections | 19691 | 2814 |
| <I/σ(I)> | 9.6 | 2.3 |
| Completeness [%] | 100.0 | |
| Redundancy | 1.9 | |
| CC(1/2) | 0.998 | 0.910 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2M potassium citrate tribasic monohydrate, 0.05M lithium citrate tribasic tetrahydrate, 0.1M sodium phosphate monobasic monohydrate, 21% PEG6000 |
