5ZEE
Crystal structure of Entamoeba histolytica Arginase in complex with N(omega)-hydroxy-L-arginine (NOHA) at 1.74 A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-11-02 |
| Detector | DECTRIS PILATUS3 X 1M |
| Wavelength(s) | 0.976251 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 87.722, 97.538, 125.067 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.140 - 1.740 |
| R-factor | 0.15715 |
| Rwork | 0.156 |
| R-free | 0.19266 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cev |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.705 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.140 | 1.840 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Number of reflections | 55347 | |
| <I/σ(I)> | 12.58 | 2.1 |
| Completeness [%] | 99.4 | 97.9 |
| Redundancy | 5.72 | |
| CC(1/2) | 0.990 | 0.980 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293.15 | 0.1M bistris propane (pH- 6.5), 0.2M potassium thiocyanate, 22% Peg 6000 |
