3BHR
E. coli TS complexed with 5-NO2dUMP and tetrahydrofolate at 1.9 A resolution (space group 152)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR571 |
| Temperature [K] | 293 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 1996-11-01 |
| Detector | ENRAF-NONIUS FAST |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 71.950, 71.950, 115.470 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 1.900 |
| R-factor | 0.1684 |
| Rwork | 0.167 |
| R-free | 0.20132 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.812 |
| Data reduction software | PROCOR |
| Data scaling software | PROCOR |
| Refinement software | REFMAC (5.3.0037) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 62.020 |
| High resolution limit [Å] | 1.900 |
| Rmerge | 0.660 |
| Number of reflections | 25412 |
| <I/σ(I)> | 11.1 |
| Completeness [%] | 99.0 |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 2.5 M ammonium sulfate, 20 mM KH2PO4, 4MM DTT, 4MM 5-NO2dUMP, 4MM MTF, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
