3E0L
Computationally Designed Ammelide Deaminase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-27 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9774 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 86.827, 107.315, 233.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 117.040 - 2.370 |
| R-factor | 0.20468 |
| Rwork | 0.202 |
| R-free | 0.24708 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2UZ9.pdb minus loops and design region |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.028 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 117.000 | 2.450 |
| High resolution limit [Å] | 2.370 | 2.370 |
| Number of reflections | 43645 | |
| <I/σ(I)> | 11.8 | 2.48 |
| Completeness [%] | 97.3 | 87 |
| Redundancy | 4.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 10mg/ml HGDA with 0.2mM AD against well solution of 1.8M AS, 0.2M NaCl, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
