9PYU
E. Coli Glucokinase - K216Q
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU PhotonJet-S |
| Temperature [K] | 297 |
| Detector technology | PIXEL |
| Collection date | 2025-06-27 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 85.088, 85.088, 183.319 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.720 - 2.440 |
| R-factor | 0.1808 |
| Rwork | 0.178 |
| R-free | 0.22480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.424 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.720 | 2.540 |
| High resolution limit [Å] | 2.440 | 2.440 |
| Rmerge | 0.372 | 5.557 |
| Rmeas | 0.393 | 5.856 |
| Rpim | 0.126 | 1.824 |
| Number of reflections | 29374 | 3239 |
| <I/σ(I)> | 5.6 | 0.6 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 9.5 | 10.1 |
| CC(1/2) | 0.990 | 0.211 |
| Anomalous redundancy | 4.4 | 4.4 |
| CC(ano) | -0.020 | 0.026 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 297 | 100 mM MES / Sodium hydroxide pH 5.5, 100 mM Ammonium citrate dibasic, 20% (w/v) PEG 3350, and 5% (v/v) 2-Propanol |
