5UIO
structure of DHFR with bound DAP, p-ABG and NADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-06-16 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.781, 103.945, 145.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.446 - 1.929 |
R-factor | 0.1926 |
Rwork | 0.192 |
R-free | 0.23040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ra3 |
RMSD bond length | 0.009 |
RMSD bond angle | 0.891 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.960 |
High resolution limit [Å] | 1.930 | 1.930 |
Number of reflections | 72439 | 3616 |
<I/σ(I)> | 18.6 | 2.7 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 7.9 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 2mM NADP,10mM DAP,50mM p-ABP,0.2M Magnesium Formate,20% PEG3350 |