3B9H
E. coli thymidylate synthase complexed with 5-NITRO-2'-DEOXY URIDINE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR571 |
| Temperature [K] | 293 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 1997-06-26 |
| Detector | ENRAF-NONIUS FAST |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 71.600, 71.600, 115.320 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.490 |
| R-factor | 0.17224 |
| Rwork | 0.168 |
| R-free | 0.23262 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1tsn |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.710 |
| Data reduction software | PROCOR |
| Data scaling software | PROCOR |
| Refinement software | REFMAC (5.3.0037) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 30.000 |
| High resolution limit [Å] | 2.490 |
| Rmerge | 0.140 |
| Number of reflections | 11592 |
| <I/σ(I)> | 10.2 |
| Completeness [%] | 93.0 |
| Redundancy | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 2.1 M ammonium sulfate, 20 mM KH2PO4, 4 mM DTT, 4 mM 5-nitro-dump, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
