3TF3
Crystal structure of metal-free Human Arginase I
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 | 2010-09-22 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0750 |
| Spacegroup name | P 3 |
| Unit cell lengths | 90.860, 90.860, 69.879 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.640 |
| R-factor | 0.2879 |
| Rwork | 0.288 |
| R-free | 0.30990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2aeb |
| 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 | 1.700 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.080 | 0.430 |
| Number of reflections | 77810 | |
| <I/σ(I)> | 35.185 | 5.459 |
| Completeness [%] | 99.3 | 95.4 |
| Redundancy | 9.8 | 9.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.1 M HEPES, 30% (v/v) Jeffamine ED-2001, 0.014 M thymine, 0.0001 M manganese chloride. following xtal growth, metal-free HAI crystals are prepared by soaking a single crystal in 0.015 M dipicolinic acid, 0.015 M EDTA, 30% (v/v) Jeffamine ED-2001 for 1 week, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
