9ULY
crystal structure of AbGHMP in complex with L-Ara and AMPPNP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-23 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.978530 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.356, 112.146, 89.922 |
| Unit cell angles | 90.00, 93.17, 90.00 |
Refinement procedure
| Resolution | 41.680 - 2.600 |
| R-factor | 0.2103 |
| Rwork | 0.208 |
| R-free | 0.25880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.465 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.21.1_5286: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.540 | 2.720 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.101 | 0.837 |
| Rmeas | 0.115 | 0.958 |
| Rpim | 0.054 | 0.452 |
| Total number of observations | 138618 | 17202 |
| Number of reflections | 33783 | 4184 |
| <I/σ(I)> | 9 | 1.8 |
| Completeness [%] | 96.9 | |
| Redundancy | 4.1 | 4.1 |
| CC(1/2) | 0.994 | 0.700 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Tris-HCl buffer at pH 8.5, with 25% (w/v) polyethylene glycol (PEG) 1,000 |
