4MYK
Crystal structure of Trypanosoma cruzi formiminoglutamase (oxidized) with Mn2+2 at pH 8.5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 2012-09-27 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | H 3 |
Unit cell lengths | 129.729, 129.729, 42.482 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.126 - 1.518 |
R-factor | 0.147 |
Rwork | 0.146 |
R-free | 0.16210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4myf |
RMSD bond length | 0.007 |
RMSD bond angle | 1.069 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER ((CCP4)) |
Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.570 |
High resolution limit [Å] | 1.520 | 1.520 |
Rmerge | 0.077 | 0.422 |
Number of reflections | 40463 | |
<I/σ(I)> | 14.367 | 2.732 |
Completeness [%] | 98.4 | 95.1 |
Redundancy | 3.6 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 294 | An apo-T. cruzi formiminoglutamase (oxidized) crystal was soaked in 20 mM MnCl2, 0.1 M sodium malonate (pH8.5), 27% PEG 3350 for 12 hours, VAPOR DIFFUSION, SITTING DROP, temperature 294K |