3PPG
Crystal structure of the Candida albicans methionine synthase by surface entropy reduction, alanine variant with zinc
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 | 2010-07-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97650 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 77.194, 99.217, 100.823 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.609 - 1.980 |
R-factor | 0.1801 |
Rwork | 0.178 |
R-free | 0.22010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ppc |
RMSD bond length | 0.007 |
RMSD bond angle | 0.982 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.010 |
High resolution limit [Å] | 1.980 | 5.370 | 1.980 |
Rmerge | 0.084 | 0.032 | 0.629 |
Number of reflections | 54885 | ||
<I/σ(I)> | 10.1 | ||
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 10 | 9.6 | 10 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | 50 mM NaI, 27% (w/v) PEG 3350, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |