1XRU
Crystal Structure of 5-keto-4-deoxyuronate Isomerase from Eschericia coli
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X8C |
Synchrotron site | NSLS |
Beamline | X8C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-04-15 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.980122, 0.979634, 0.979538 |
Spacegroup name | H 3 |
Unit cell lengths | 102.972, 102.972, 176.862 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 12.970 - 1.940 |
R-factor | 0.165 |
Rwork | 0.164 |
R-free | 0.19100 |
Structure solution method | MAD |
RMSD bond length | 0.004 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SHARP |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.010 |
High resolution limit [Å] | 1.940 | 1.940 |
Number of reflections | 51573 | |
<I/σ(I)> | 9 | 4.8 |
Completeness [%] | 99.9 | 99.3 |
Redundancy | 4.5 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 277 | PEG 400, calcium chloride, HEPES, pH 7, VAPOR DIFFUSION, temperature 277K |