4H51
Crystal structure of a putative Aspartate Aminotransferase from Leishmania major Friedlin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-05-22 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.410, 93.670, 74.590 |
| Unit cell angles | 90.00, 106.57, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.850 |
| R-factor | 0.1698 |
| Rwork | 0.168 |
| R-free | 0.21290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.597 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.3.0) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.900 |
| High resolution limit [Å] | 1.850 | 8.270 | 1.850 |
| Rmerge | 0.054 | 0.018 | 0.541 |
| Number of reflections | 68837 | 810 | 5037 |
| <I/σ(I)> | 22.71 | 90.49 | 2.26 |
| Completeness [%] | 99.6 | 98.5 | 98.7 |
| Redundancy | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 290 | EmeraldBio PACT screen e12: 20% PEG 3350, 200mM NaMalonate pH 7.0, LemaA.01471.b.B1.PS00838 at 19mg/ml with 2.5mM PLP, VAPOR DIFFUSION, SITTING DROP, temperature 290K |
