1TJ2
Crystal structure of E. coli PutA proline dehydrogenase domain (residues 86-669) complexed with acetate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 173 |
Detector technology | CCD |
Collection date | 2003-11-15 |
Detector | CUSTOM-MADE |
Wavelength(s) | 0.97856 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 72.855, 141.093, 145.428 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.700 - 2.050 |
R-factor | 0.21034 |
Rwork | 0.208 |
R-free | 0.25015 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1k87 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.382 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.000 | 2.120 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.084 | 0.405 |
Number of reflections | 45470 | |
<I/σ(I)> | 14 | 2.9 |
Completeness [%] | 97.0 | 91 |
Redundancy | 6.8 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.7 | 295 | 13-15 % PEG 3350, 60-190 mM citrate buffer, pH 5.7, VAPOR DIFFUSION, SITTING DROP, temperature 295K |