5ZDO
Crystal Structure Analysis of TtQRS in co-crystallised with ATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2014-06-09 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 143.868, 39.393, 115.837 |
| Unit cell angles | 90.00, 116.82, 90.00 |
Refinement procedure
| Resolution | 29.420 - 2.800 |
| R-factor | 0.1853 |
| Rwork | 0.181 |
| R-free | 0.22530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qru |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.689 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 7.590 | 2.800 |
| Rmerge | 0.098 | 0.034 | 0.624 |
| Total number of observations | 102218 | ||
| Number of reflections | 14649 | 791 | 710 |
| <I/σ(I)> | 8.2 | ||
| Completeness [%] | 99.8 | 99.9 | 100 |
| Redundancy | 7 | 6.8 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.2 M Ammonium sulfate, 0.1 M Sodium cacodylate trihydrate pH 6.5, 30% w/v Polyethylene glycol 8,000 |
