4KH1
The R state structure of E. coli ATCase with CTP,UTP, and Magnesium bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-10-18 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.542 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 120.870, 120.870, 154.730 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.807 - 2.200 |
| R-factor | 0.1643 |
| Rwork | 0.163 |
| R-free | 0.19570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1d09 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.061 |
| Data reduction software | d*TREK (9.9.8.8D) |
| Data scaling software | d*TREK |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 31.810 | 31.810 | 2.280 |
| High resolution limit [Å] | 2.200 | 4.740 | 2.200 |
| Rmerge | 0.039 | 0.024 | 0.409 |
| Number of reflections | 66369 | ||
| <I/σ(I)> | 16.5 | 48.2 | 3.4 |
| Completeness [%] | 99.4 | 96.6 | 100 |
| Redundancy | 5.68 | 5.7 | 5.58 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICRODIALYSIS | 5.9 | 293 | 50 mM maleic acid, 1 mM PALA, 3 mM sodium azide, pH 5.9, Microdialysis, temperature 293K |
