5YG0
Plasmodium vivax SHMT bound with PLP-glycine and GS657
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 | 2016-08-14 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 101.561, 58.615, 233.052 |
Unit cell angles | 90.00, 90.02, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.330 |
R-factor | 0.2482 |
Rwork | 0.241 |
R-free | 0.31100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4tmr |
RMSD bond length | 0.011 |
RMSD bond angle | 1.544 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.410 |
High resolution limit [Å] | 2.330 | 5.010 | 2.330 |
Rmerge | 0.023 | 0.014 | 0.241 |
Rmeas | 0.027 | 0.017 | 0.280 |
Rpim | 0.014 | 0.009 | 0.142 |
Number of reflections | 57637 | 5760 | 5650 |
<I/σ(I)> | 20.8 | ||
Completeness [%] | 96.5 | 93.5 | 96.3 |
Redundancy | 3.7 | 3.2 | 3.8 |
CC(1/2) | 0.999 | 0.952 |
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 |