3E74
Crystal structure of E. coli allantoinase with iron ions at the metal center
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 4A |
| Synchrotron site | PAL/PLS |
| Beamline | 4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-21 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97951 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.681, 92.450, 168.430 |
| Unit cell angles | 90.00, 93.30, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| Rwork | 0.199 |
| R-free | 0.24000 |
| Structure solution method | SAD |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE (2.12) |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.114 | 0.463 |
| Number of reflections | 148374 | |
| <I/σ(I)> | 2.3 | |
| Completeness [%] | 99.2 | 98.4 |
| Redundancy | 4.6 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 295 | 2.25M NaCl, 0.1M Na/K phosphate (pH6.7), 10mM EDTA, 1%(w/v) PEG3350, 1.2%(w/v) myo-inositol, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
