2PUZ
Crystal structure of Imidazolonepropionase from Agrobacterium tumefaciens with bound product N-formimino-L-Glutamate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-04-04 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.10000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 140.913, 64.371, 103.876 |
| Unit cell angles | 90.00, 112.27, 90.00 |
Refinement procedure
| Resolution | 37.870 - 1.830 |
| R-factor | 0.198 |
| Rwork | 0.198 |
| R-free | 0.22500 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2gok |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.900 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.041 | 0.169 |
| Number of reflections | 75466 | |
| <I/σ(I)> | 27.9 | 26 |
| Completeness [%] | 99.5 | 97.4 |
| Redundancy | 6.9 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | 25% PEG 3350, 0.1 M Bis-Tris pH 5.5, 0.2 M MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
