4PUM
tRNA-Guanine Transglycosylase (TGT) Mutant D156N in Complex with 6-Amino-2-(methylamino)-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P14 (MX2) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-10-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.23953 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 89.690, 64.660, 70.770 |
| Unit cell angles | 90.00, 93.08, 90.00 |
Refinement procedure
| Resolution | 70.668 - 1.930 |
| R-factor | 0.1614 |
| Rwork | 0.159 |
| R-free | 0.20170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pud |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.044 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.000 | 1.980 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Number of reflections | 30236 | |
| <I/σ(I)> | 21.6 | 3.4 |
| Completeness [%] | 99.0 | 99.4 |
| Redundancy | 4.7 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291.15 | 100 mM MES, 10% DMSO, 13% PEG 8000, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 291.15K |
