6DAV
Crystal Structure of Human DHFR complexed with NADP and N10formyltetrahydrofolate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-01-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979490 |
Spacegroup name | P 1 |
Unit cell lengths | 37.090, 42.740, 72.290 |
Unit cell angles | 91.05, 101.88, 120.00 |
Refinement procedure
Resolution | 36.640 - 1.550 |
R-factor | 0.1668 |
Rwork | 0.165 |
R-free | 0.20440 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.590 |
High resolution limit [Å] | 1.550 | 6.930 | 1.550 |
Rmerge | 0.031 | 0.019 | 0.395 |
Rmeas | 0.040 | 0.024 | 0.508 |
Number of reflections | 50838 | 595 | 3748 |
<I/σ(I)> | 13.42 | 35.3 | 2.11 |
Completeness [%] | 94.0 | 98 | 94.5 |
Redundancy | 2.309 | 2.361 | 2.339 |
CC(1/2) | 0.999 | 0.999 | 0.895 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 290 | Wizard 3/4 H10 (296175h10): 100 mM Tris base/ Hydrochloric acid pH 8.5, 30% (w/v) PEG3350, 30% (v/v) 2-propanol, protein conc. 28.74 mg/mL, protein batch ID XP819, 10 mM NADP, 3.75 mM BSI108214, seeded from 293949g10, cryoprotected with 20% eg, puck izs6-6 |