3D6K
The crystal structure of a putative aminotransferase from Corynebacterium diphtheriae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-10-30 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97943 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 89.248, 56.081, 173.592 |
Unit cell angles | 90.00, 102.47, 90.00 |
Refinement procedure
Resolution | 42.680 - 2.000 |
R-factor | 0.19249 |
Rwork | 0.190 |
R-free | 0.24093 |
Structure solution method | SAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.546 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | SHELXD |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.700 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.084 | 0.377 |
Number of reflections | 99497 | |
<I/σ(I)> | 12 | 1.45 |
Completeness [%] | 86.9 | 64.7 |
Redundancy | 2.9 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.2M NH4Cl 20% (w/v) PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 289K |