5YFY
Plasmodium vivax SHMT bound with PLP-glycine and GS625
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-12-14 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 101.647, 58.804, 235.489 |
Unit cell angles | 90.00, 90.01, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.300 |
R-factor | 0.2237 |
Rwork | 0.218 |
R-free | 0.27610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4tmr |
RMSD bond length | 0.010 |
RMSD bond angle | 1.491 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.380 |
High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
Rmerge | 0.022 | 0.018 | 0.055 |
Rmeas | 0.026 | 0.021 | 0.067 |
Rpim | 0.014 | 0.011 | 0.038 |
Number of reflections | 60821 | 6261 | 5137 |
<I/σ(I)> | 38.2 | ||
Completeness [%] | 96.7 | 96.4 | 82.4 |
Redundancy | 3.3 | 3.4 | 2.5 |
CC(1/2) | 0.999 | 0.992 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 8.5 | 298 | PEG 4000, 0.06-0.12 M NaCl, 0.1 M Tris-HCl pH 8.5 |