5YFZ
Plasmodium vivax SHMT bound with PLP-glycine and S-GS626
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 | 101.875, 58.796, 235.728 |
Unit cell angles | 90.00, 89.99, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.160 |
R-factor | 0.2696 |
Rwork | 0.263 |
R-free | 0.33270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4tmr |
RMSD bond length | 0.011 |
RMSD bond angle | 1.549 |
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 | 2.240 |
High resolution limit [Å] | 2.160 | 4.650 | 2.160 |
Rmerge | 0.021 | 0.015 | 0.128 |
Rmeas | 0.024 | 0.017 | 0.146 |
Rpim | 0.011 | 0.008 | 0.067 |
Number of reflections | 70224 | 7529 | 6058 |
<I/σ(I)> | 30.7 | ||
Completeness [%] | 93.4 | 97.2 | 82.1 |
Redundancy | 4.1 | 4.3 | 3.8 |
CC(1/2) | 0.999 | 0.991 |
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 |