3DAU
Crystal structure of the ternary MTX NADPH complex of Escherichia coli dihydrofolate reductase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-03-15 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.90000 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 61.847, 61.847, 104.740 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 18.880 - 1.500 |
R-factor | 0.16 |
Rwork | 0.159 |
R-free | 0.18600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rh3 |
RMSD bond length | 0.022 |
RMSD bond angle | 2.219 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.400 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.059 | 0.921 |
Number of reflections | 50833 | |
<I/σ(I)> | 16.7 | 1.24 |
Completeness [%] | 98.6 | 98.4 |
Redundancy | 5.5 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | 0.1 M Bis-Tris pH 5.5, 0.2 M NaCl, 25% w/v PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K |