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 |