2NU1
Molecular structures of the complexes of SGPB with OMTKY3 aromatic P1 variants Trp18I, His18I, Phe18I and Tyr18I
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-06-20 |
| Detector | MAC Science DIP-2030 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.440, 54.720, 45.600 |
| Unit cell angles | 90.00, 119.01, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.800 |
| R-factor | 0.163 |
| Rwork | 0.163 |
| Structure solution method | MIR |
| Starting model (for MR) | 3sgb |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.013 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.060 | 0.171 |
| Number of reflections | 18437 | |
| <I/σ(I)> | 15.88 | 3.78 |
| Completeness [%] | 89.8 | 64.7 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 298 | PEG 4000, SODIUM POTASSIUM PHOSPHATE, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
