8WGN
Human dihydrofolate reductase (HsDHFR) complexed with NADPH and LA1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | Cu FINE FOCUS |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2022-08-05 |
| Detector | BRUKER PHOTON 100 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 |
| Unit cell lengths | 84.697, 84.697, 77.686 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.680 - 2.000 |
| R-factor | 0.185 |
| Rwork | 0.181 |
| R-free | 0.22420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.048 |
| Data reduction software | PROTEUM PLUS (Proteum4) |
| Data scaling software | PROTEUM PLUS (Proteum4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 22.570 | 22.570 | 2.050 |
| High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
| Rmerge | 0.163 | 0.047 | 0.550 |
| Rmeas | 0.186 | 0.055 | 0.627 |
| Rpim | 0.090 | 0.029 | 0.299 |
| Number of reflections | 27977 | 131 | 1078 |
| <I/σ(I)> | 8.3 | ||
| Completeness [%] | 99.8 | ||
| Redundancy | 8.7 | 6.8 | 8.7 |
| CC(1/2) | 0.995 | 0.998 | 0.925 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 297 | 2.65 M AMMONIUM SULPHATE, 100 mM POTASSIUM PHOSPHATE, PH 7 |
