4GWD
Crystal Structure of the Mn2+2,Zn2+-Human Arginase I-ABH 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 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0750 |
| Spacegroup name | P 3 |
| Unit cell lengths | 91.082, 91.082, 69.903 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.530 |
| R-factor | 0.1598 |
| Rwork | 0.160 |
| R-free | 0.21530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pha |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.500 |
| 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 | 1.580 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Rmerge | 0.069 | 0.341 |
| <I/σ(I)> | 15.502 | 3.207 |
| Completeness [%] | 99.5 | 98.2 |
| Redundancy | 2.8 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | An unliganded Mn2+2-HAI crystal was soaked in 5 mM ZnCl2, 5 mM ABH, 100 mM HEPES (pH 7.0), and 32% (w/v) Jeffamine ED-2001 for 26 hours., VAPOR DIFFUSION, SITTING DROP, temperature 298K |
