5JXQ
TRNA-GUANINE TRANSGLYCOSYLASE (TGT) IN COMPLEX WITH 6-AMINO-2-{[4-(2-HYDROXYETHYL)PHENETHYL]AMINO}-1,7-DIHYDRO-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 | 2013-11-14 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97627 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 90.220, 64.760, 70.340 |
Unit cell angles | 90.00, 96.16, 90.00 |
Refinement procedure
Resolution | 69.934 - 1.200 |
R-factor | 0.1379 |
Rwork | 0.137 |
R-free | 0.15700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pud |
RMSD bond length | 0.005 |
RMSD bond angle | 1.134 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 80.000 | 1.240 |
High resolution limit [Å] | 1.200 | 1.200 |
Number of reflections | 123477 | |
<I/σ(I)> | 19.8 | |
Completeness [%] | 98.3 | |
Redundancy | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 100 MM MES, 10% DMSO, 13% PEG 8000, PH 5.5 |