4GHR
TGT D102N mutant in complex with lin-benzohypoxanthine inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2012-02-10 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 90.224, 64.518, 70.592 |
Unit cell angles | 90.00, 95.58, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.000 |
R-factor | 0.1771 |
Rwork | 0.174 |
R-free | 0.24840 |
Structure solution method | AB INITIO |
Starting model (for MR) | 1p0d |
RMSD bond length | 0.005 |
RMSD bond angle | 0.020 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 26737 | |
<I/σ(I)> | 14 | 3.2 |
Completeness [%] | 97.7 | 96 |
Redundancy | 2.8 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 288 | 100MM MES, 1MM DTT, 10% DMSO, 13% PEG8000, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K |