5YG3
Plasmodium vivax SHMT bound with PLP-glycine and S-GS834
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER D8 QUEST |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2017-07-17 |
Detector | BRUKER PHOTON 100 |
Wavelength(s) | 1.54 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 101.623, 58.727, 236.139 |
Unit cell angles | 90.00, 90.32, 90.00 |
Refinement procedure
Resolution | 19.810 - 2.400 |
R-factor | 0.2301 |
Rwork | 0.222 |
R-free | 0.30000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4tmr |
RMSD bond length | 0.011 |
RMSD bond angle | 1.603 |
Data scaling software | Aimless (0.5.21) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.810 | 19.810 | 2.470 |
High resolution limit [Å] | 2.400 | 9.900 | 2.400 |
Rmerge | 0.090 | 0.051 | 0.381 |
Rmeas | 0.097 | 0.057 | 0.439 |
Rpim | 0.037 | 0.024 | 0.211 |
Total number of observations | 342285 | ||
Number of reflections | 52746 | 579 | 4597 |
<I/σ(I)> | 14.8 | ||
Completeness [%] | 96.1 | 70.2 | 96.5 |
Redundancy | 6.5 | 4.4 | 3.8 |
CC(1/2) | 0.998 | 0.998 | 0.948 |
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 |