4IX8
Crystal structure of Tyrosine aminotransferase from Leishmania infantum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-11-08 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 98.960, 98.960, 199.260 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.136 - 2.350 |
R-factor | 0.1748 |
Rwork | 0.173 |
R-free | 0.20590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bw0 modified with CCP4 program chainsaw |
RMSD bond angle | 0.012 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.5.2) |
Refinement software | PHENIX (dev_1269) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 10.510 | 2.410 |
High resolution limit [Å] | 2.350 | 7.430 | 2.350 |
Rmerge | 0.069 | 0.038 | 0.563 |
Number of reflections | 47821 | 1051 | 3479 |
<I/σ(I)> | 13.81 | 30.97 | 2.55 |
Completeness [%] | 99.8 | 100 | 99.9 |
Redundancy | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 290 | Molecular dimersions Morpheus screen b11: 10% PEG 4000, 20% glycerol, 30mM NaF, 30mM NaBr, 30mM NaI, 100mM Bicine/Tris pH 8.5; LeinA.00674.a.BV2.PC00092 at 21.3mg/ml, VAPOR DIFFUSION, SITTING DROP, temperature 290K |