7D6G
Neutron crystal Structure of E.coli Dihydrofolate Reductase complexed with folate and NADP+ at pH4.5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 291 |
Detector technology | IMAGE PLATE |
Collection date | 2014-08-10 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 34.102, 45.595, 99.113 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.330 - 2.100 |
R-factor | 0.1786 |
Rwork | 0.177 |
R-free | 0.21870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rx2 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.180 | 1.750 |
High resolution limit [Å] | 1.650 | 2.100 | 1.650 |
Rmerge | 0.041 | 0.335 | 0.426 |
Number of reflections | 18163 | 589 | 2230 |
<I/σ(I)> | 24.94 | 2.3 | 2.52 |
Completeness [%] | 93.9 | 77.8 | |
Redundancy | 3.9 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 291 | 40mg/mL DHFR-folate-NADP+ complex, 12% (v/v) PEG 400, 100mM MnCl2, 100mM NaAc, pH4.5 |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 291 | 40mg/mL DHFR-folate-NADP+ complex, 12% (v/v) PEG 400, 100mM MnCl2, 100mM NaAc, pH4.5 |