2NU0
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 | AREA DETECTOR |
| Collection date | 1994-09-20 |
| Detector | SDMS |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.350, 54.520, 45.650 |
| Unit cell angles | 90.00, 119.20, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.950 |
| R-factor | 0.145 |
| Rwork | 0.145 |
| Structure solution method | isomorphous replacement |
| Starting model (for MR) | 3sgb |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.155 |
| Data reduction software | SDMS |
| Data scaling software | SDMS |
| Phasing software | X-PLOR |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.940 |
| High resolution limit [Å] | 1.950 | 1.920 |
| Rmerge | 0.066 | 0.228 |
| Number of reflections | 13629 | |
| <I/σ(I)> | 12.44 | 3.22 |
| Completeness [%] | 94.4 | 70.4 |
| Redundancy | 2.8 |
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 |
