2G3F
Crystal Structure of imidazolonepropionase complexed with imidazole-4-acetic acid sodium salt, a substrate homologue
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BSRF BEAMLINE 3W1A |
| Synchrotron site | BSRF |
| Beamline | 3W1A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-01-12 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.530, 106.080, 66.310 |
| Unit cell angles | 90.00, 90.20, 90.00 |
Refinement procedure
| Resolution | 19.910 - 2.000 |
| R-factor | 0.187 |
| Rwork | 0.185 |
| R-free | 0.21600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bb0 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.300 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 52978 | |
| <I/σ(I)> | 10.7 | 2.7 |
| Completeness [%] | 98.9 | 97.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 289 | 20%(w/v) PEG4000, 0.1M Tris-HCl pH7.5, 0.05M Imidazoli-4-acetic acid sodium salt, 2%(w/v) benzamidine hydrochloride, VAPOR DIFFUSION, temperature 289K |
