5VIA
Crystal structural of Leishmania major pseudoperoxidase
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL14-1 |
| Synchrotron site | SSRL |
| Beamline | BL14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-12-16 |
| Detector | RAYONIX MX325HE |
| Wavelength(s) | 1.18076 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 63.680, 63.680, 152.490 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.875 - 1.764 |
| R-factor | 0.1969 |
| Rwork | 0.196 |
| R-free | 0.21840 |
| Structure solution method | MAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.048 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.880 | 1.830 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.086 | |
| Rpim | 0.049 | |
| Number of reflections | 31236 | 3100 |
| <I/σ(I)> | 73.11 | |
| Completeness [%] | 98.2 | 94.03 |
| Redundancy | 18 | 16.5 |
| CC(1/2) | 0.998 | 0.297 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 296 | 14 mg/mL protein, 5% 2-methyl-2,4-pentanediol, 10% polyethylene glycol 6000, and 0.1 M HEPES pH 7.5 |
