3A8T
Plant adenylate isopentenyltransferase in complex with ATP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-11-08 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.422, 75.887, 81.128 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.470 - 2.370 |
R-factor | 0.1845 |
Rwork | 0.181 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qgn |
RMSD bond length | 0.018 |
RMSD bond angle | 1.971 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.450 |
High resolution limit [Å] | 2.370 | 2.370 |
Rmerge | 0.099 | 0.442 |
Number of reflections | 12174 | |
<I/σ(I)> | 22.1 | 4.2 |
Completeness [%] | 99.7 | 99.9 |
Redundancy | 4.1 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 20mM HEPES, 2mM ATP, 1mM DTT, 5mM DMASPP, 0.2M ammonium tartrate, 20% (w/v) PEG 3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |