4KH0
The R state structure of E. coli ATCase with ATP and Magnesium bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-19 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 121.133, 121.133, 155.107 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.688 - 2.250 |
| R-factor | 0.1702 |
| Rwork | 0.168 |
| R-free | 0.20770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1d09 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.136 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.330 |
| High resolution limit [Å] | 2.250 | 4.850 | 2.250 |
| Rmerge | 0.085 | 0.059 | 0.741 |
| Number of reflections | 62983 | ||
| <I/σ(I)> | 12 | ||
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 24.1 | 31.3 | 22 |
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 |
