4FCI
Crystal Structure of the Mn2+2-Human Arginase I-AGPA Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-11 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0750 |
| Spacegroup name | P 3 |
| Unit cell lengths | 90.848, 90.848, 69.767 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.820 |
| R-factor | 0.2785 |
| Rwork | 0.279 |
| R-free | 0.31010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2aeb |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.600 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.890 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.089 | 0.183 |
| <I/σ(I)> | 18.056 | 9.313 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 4.8 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | An unliganded Mn2+2-HAI crystal was soaked in 50 mM AGPA, 5 mM MnCl2, 100 mM bicine (pH 8.5), 32% (v/v) Jeffamine ED-2001 for 21 hours, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
