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 |