5ZDK
Crystal Structure Analysis of TtQRS in complex 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 | 2014-06-11 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 144.660, 39.413, 116.051 |
| Unit cell angles | 90.00, 116.48, 90.00 |
Refinement procedure
| Resolution | 29.460 - 2.450 |
| R-factor | 0.1944 |
| Rwork | 0.192 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qru |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.855 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.490 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.067 | 0.591 |
| Number of reflections | 22079 | 1009 |
| <I/σ(I)> | 22.7 | 1.9 |
| Completeness [%] | 99.6 | 92.7 |
| Redundancy | 3.8 | 3.8 |
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 |
