4LEQ
tRNA guanine transglycosylase (TGT) in complex with Furanoside-Based lin-Benzoguanine 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-08 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.91841 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 90.623, 65.106, 70.357 |
| Unit cell angles | 90.00, 96.30, 90.00 |
Refinement procedure
| Resolution | 40.876 - 1.405 |
| R-factor | 0.1245 |
| Rwork | 0.123 |
| R-free | 0.14850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pud |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.106 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.430 |
| High resolution limit [Å] | 1.405 | 1.405 |
| Number of reflections | 76331 | |
| <I/σ(I)> | 16.6 | 2.8 |
| Completeness [%] | 96.9 | 94.7 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 288 | 13% PEG 8000, 100mM MES, 1mM DTT, 10% DMSO, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K |
