4GYS
Granulibacter bethesdensis allophanate hydrolase co-crystallized with malonate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-01-01 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 61 |
| Unit cell lengths | 77.701, 77.701, 395.473 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.850 - 2.201 |
| R-factor | 0.1784 |
| Rwork | 0.178 |
| R-free | 0.20270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dc0 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.277 |
| 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 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.115 | 0.332 |
| Number of reflections | 66038 | |
| <I/σ(I)> | 21.2 | 4.9 |
| Completeness [%] | 97.1 | 96.2 |
| Redundancy | 9.2 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 1.04M sodium malonate,100mM PIPES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
