2ANO
Crystal structure of E.coli dihydrofolate reductase in complex with NADPH and the inhibitor MS-SH08-17
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-01-21 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 34.130, 44.140, 97.784 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.000 - 2.680 |
R-factor | 0.2385 |
Rwork | 0.237 |
R-free | 0.25000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.700 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.230 | 2.780 |
High resolution limit [Å] | 2.680 | 2.680 |
Rmerge | 0.062 | 0.204 |
Number of reflections | 4392 | |
<I/σ(I)> | 13.1 | 4 |
Completeness [%] | 97.8 | 100 |
Redundancy | 2.66 | 2.67 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 277 | PEG 6000, imidazole, calcium chloride, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |