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 |
