5XKT
Klebsiella pneumoniae UreG in complex with GMPPNP and nickel
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-12-07 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 83.553, 49.318, 129.708 |
| Unit cell angles | 90.00, 103.16, 90.00 |
Refinement procedure
| Resolution | 19.434 - 1.800 |
| R-factor | 0.1578 |
| Rwork | 0.156 |
| R-free | 0.19050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hi0 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.315 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.11.1_2575)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.433 | 1.940 |
| High resolution limit [Å] | 1.800 | 1.900 |
| Rmerge | 0.057 | 0.303 |
| Rpim | 0.036 | 0.193 |
| Number of reflections | 47816 | 8710 |
| <I/σ(I)> | 15.2 | 4 |
| Completeness [%] | 99.5 | 95.9 |
| Redundancy | 3.5 | 3.3 |
| CC(1/2) | 0.998 | 0.900 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 289 | 100 mM HEPES pH 7.5, 1.8 M (NH4)2SO4, 3% dioxane |
