2GQV
High-resolution structure of a plasmid-encoded dihydrofolate reductase: pentagonal network of water molecules in the D2-symmetric active site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-D |
Synchrotron site | APS |
Beamline | 14-BM-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1998-03-15 |
Detector | ADSC QUANTUM 1 |
Wavelength(s) | 0.9495 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 68.050, 68.050, 52.244 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.100 |
R-factor | 0.105 |
Rwork | 0.099 |
R-free | 0.15300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vie |
RMSD bond length | 0.023 |
RMSD bond angle | 0.035 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.140 |
High resolution limit [Å] | 1.100 | 1.100 |
Number of reflections | 19914 | |
<I/σ(I)> | 21.4 | |
Completeness [%] | 90.0 | 58 |
Redundancy | 8.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.1M Tris-Hcl buffer, 25% MPD, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |