3NNK
Biochemical and Structural Characterization of a Ureidoglycine Aminotransferase in the Klebsiella pneumoniae Uric Acid Catabolic Pathway
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 142.150, 149.203, 197.996 |
Unit cell angles | 90.00, 90.28, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.580 |
R-factor | 0.21882 |
Rwork | 0.217 |
R-free | 0.24602 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vj0 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.992 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.650 |
High resolution limit [Å] | 2.580 | 2.580 |
Number of reflections | 240000 | |
<I/σ(I)> | 8.6 | 1.9 |
Completeness [%] | 96.8 | 96.8 |
Redundancy | 2.4 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 34% MPD, 0.1 M NaCl, 0.1 M Tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 18K, temperature 291K |