4EU1
Structure of a mitochondrial aspartate aminotransferase from Trypanosoma brucei
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-04-06 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 62.260, 96.250, 81.320 |
Unit cell angles | 90.00, 111.62, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.300 |
R-factor | 0.1984 |
Rwork | 0.196 |
R-free | 0.24470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4EFF modified with CCP4 program chainsaw |
RMSD bond length | 0.011 |
RMSD bond angle | 1.375 |
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 | 2.360 |
High resolution limit [Å] | 2.300 | 10.290 | 2.300 |
Rmerge | 0.085 | 0.025 | 0.532 |
Number of reflections | 38947 | 448 | 2800 |
<I/σ(I)> | 12.82 | 36.62 | 3.1 |
Completeness [%] | 98.0 | 95.1 | 96.5 |
Redundancy | 3.8 | 3.6 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | EmeraldBio Wizard classic 3/4 B7: 20% PEG 3350, 200mM ammonium nitrate, TrbrA.34891.a.A1 PW34891 at 27.7 mg/ml, tray 232857g1, pH 7.5, vapor diffusion, sitting drop, temperature 290K |