5CC9
L28F E.coli dihydrofolate reductase complexed with 5,10-dideazatetrahydrofolate and oxidized nicotinamide adenine dinucleotide phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-07-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97945 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 34.536, 58.245, 79.377 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.959 - 1.199 |
R-factor | 0.1574 |
Rwork | 0.155 |
R-free | 0.19560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rx6 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.319 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.960 | 1.220 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 1.000 | |
Number of reflections | 50682 | |
<I/σ(I)> | 43.8 | 2 |
Completeness [%] | 99.2 | 98.6 |
Redundancy | 12.2 | 12.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 0.1M tris(hydroxymethyl)aminomethane, 20% w/v PEG3350, 0.2M calcium acetate |