5ZDL
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 | 2014-09-13 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 0.976 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 145.084, 39.363, 114.846 |
Unit cell angles | 90.00, 116.80, 90.00 |
Refinement procedure
Resolution | 46.190 - 2.600 |
R-factor | 0.2272 |
Rwork | 0.220 |
R-free | 0.28680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qru |
RMSD bond length | 0.011 |
RMSD bond angle | 1.533 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.640 |
High resolution limit [Å] | 2.600 | 7.050 | 2.600 |
Rmerge | 0.099 | 0.052 | 0.657 |
Total number of observations | 102358 | ||
Number of reflections | 18203 | 971 | 861 |
<I/σ(I)> | 12.4 | ||
Completeness [%] | 99.5 | 97.4 | 97.4 |
Redundancy | 5.6 | 5.4 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.2M Ammonium sulfate, 0.1M Sodium cacodylate trihydrate pH 6.5, 30%(w/v) Polyethylene glycol 8,000 |