3CL6
Crystal structure of Puue Allantoinase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-11 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 4 |
| Unit cell lengths | 98.299, 98.299, 62.393 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 9.980 - 1.580 |
| R-factor | 0.20896 |
| Rwork | 0.208 |
| R-free | 0.23248 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1z7a |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.162 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.710 | 1.670 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.072 | 0.441 |
| Number of reflections | 81449 | |
| <I/σ(I)> | 8.4 | 1.7 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 298 | 0.2M (NH4)2SO4, 0.1M NaCacodylate, pH 6.5, 30% PEG 8000, VAPOR DIFFUSION, temperature 298K |
