3H39
The complex structure of CCA-adding enzyme with ATP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-06-19 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 186.085, 64.070, 151.772 |
Unit cell angles | 90.00, 100.88, 90.00 |
Refinement procedure
Resolution | 36.035 - 2.854 |
R-factor | 0.2123 |
Rwork | 0.210 |
R-free | 0.25200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3h37 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.650 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.950 |
High resolution limit [Å] | 2.850 | 2.850 |
Number of reflections | 40051 | |
<I/σ(I)> | 18.7 | 1.2 |
Completeness [%] | 96.2 | 68.6 |
Redundancy | 3.5 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 293 | 20% ethylene glycol, 0.05M Tris-Cl pH8.4, 2mM ATP, VAPOR DIFFUSION, HANGING DROP, temperature 293K |