4LVY
Structure of the THF riboswitch bound to pemetrexed
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-01-19 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.1051 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 27.370, 68.440, 155.830 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.220 - 2.000 |
R-factor | 0.212 |
Rwork | 0.210 |
R-free | 0.24220 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.953 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.940 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.263 | |
<I/σ(I)> | 4.4 | |
Completeness [%] | 99.7 | 99.9 |
Redundancy | 3.7 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 303 | 2,4-methyl-pentanediol, spermine, sodium cacodylate, sodium chloride, dithiothreitol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 303K |