4L6H
Crystal structure of the Candida albicans Methionine Synthase in complex with Methotrexate and Homocysteine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-04-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97648 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 77.068, 98.981, 101.936 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.890 - 1.750 |
R-factor | 0.19168 |
Rwork | 0.189 |
R-free | 0.23486 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 1.828 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.900 | 1.780 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.069 | 0.548 |
Number of reflections | 78948 | |
<I/σ(I)> | 11.2 | |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | 50 mM NaI, 27% (w/v) PEG 3350, 0.25 mM DTT, 0.15 mM ZnSO4, 10 mM Methotrexate-Glu3, 5 mM L-Homocysteine, 20 mM Tris-Cl pH 7.4 , VAPOR DIFFUSION, HANGING DROP, temperature 293K |