3QL0
Crystal structure of N23PP/S148A mutant of E. coli dihydrofolate reductase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2010-03-10 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.033 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 79.662, 79.662, 71.464 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.630 - 1.600 |
R-factor | 0.21029 |
Rwork | 0.208 |
R-free | 0.24534 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.539 |
Data reduction software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.642 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 35547 | |
Completeness [%] | 99.6 | 97.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.2 M calcium acetate, 0.1 M HEPES, 40% v/v PEG 400, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |