1AXW
E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH METHOTREXATE (MTX) AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 278 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-11-25 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 63 |
| Unit cell lengths | 127.340, 127.340, 68.060 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.700 |
| R-factor | 0.217 |
| Rwork | 0.217 |
| R-free | 0.26500 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 1kce |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.854) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.750 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.090 | 0.344 |
| Number of reflections | 69189 | |
| <I/σ(I)> | 16 | 3 |
| Completeness [%] | 78.3 | 70.1 |
| Redundancy | 7.9 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.8 | 4.2 MG/ML E.COLI TS, 0.38 MM DUMP, 3.8 MM DTT, 1.0 MM MTX AND 1.2 M (NH4)2SO4, PH 7.8 (20 MM KPO4) OVER 2.4 M (NH4)2SO4 AND 1.0 MM DTT |
