3PPC
Crystal structure of the Candida albicans methionine synthase by surface entropy reduction, tyrosine variant with zinc
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-04-13 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.11587 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 77.676, 92.685, 190.970 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.200 |
R-factor | 0.18418 |
Rwork | 0.182 |
R-free | 0.23104 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1u1h |
RMSD bond length | 0.018 |
RMSD bond angle | 1.506 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.9) |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.320 |
High resolution limit [Å] | 2.200 | 6.960 | 2.200 |
Rmerge | 0.097 | 0.043 | 0.453 |
Number of reflections | 68226 | ||
<I/σ(I)> | 13.2 | 11.6 | 1.7 |
Completeness [%] | 96.5 | 99.7 | 82.7 |
Redundancy | 6.4 | 6.8 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 250 mM NaI, 20% (w/v) PEG 3350, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |