4GYR
Granulibacter bethesdensis allophanate hydrolase apo
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-01-01 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 61 |
| Unit cell lengths | 78.094, 78.094, 397.543 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.045 - 2.800 |
| R-factor | 0.2594 |
| Rwork | 0.256 |
| R-free | 0.30680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4gys |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.906 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.114 | 0.171 |
| Number of reflections | 33519 | |
| <I/σ(I)> | 20.8 | 18.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 9 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 24%(w/v)PEG4000,50mM MgCl2,100 mM HEPES pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
