5XMQ
Plasmodium vivax SHMT(C346A) bound with PLP-glycine and MF011
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 | 2016-12-16 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 101.319, 58.362, 236.453 |
Unit cell angles | 90.00, 90.07, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.200 |
R-factor | 0.2222 |
Rwork | 0.216 |
R-free | 0.27560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4tmr |
RMSD bond length | 0.011 |
RMSD bond angle | 1.503 |
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 | 2.280 |
High resolution limit [Å] | 2.200 | 4.730 | 2.200 |
Rmerge | 0.025 | 0.021 | 0.060 |
Rmeas | 0.030 | 0.025 | 0.073 |
Rpim | 0.016 | 0.013 | 0.041 |
Number of reflections | 67269 | ||
<I/σ(I)> | 29 | ||
Completeness [%] | 94.3 | 97.7 | 85.2 |
Redundancy | 2.9 | 3.3 | 2.6 |
CC(1/2) | 0.998 | 0.995 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 8.5 | 298 | PEG4000, 0.06-0.12M NaCl, 0.1M Tris-HCl pH 8.5 |