2RK1
DHFR R67 Complexed with NADP and dihydrofolate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-03-17 |
Detector | RIGAKU SATURN 92 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 67.804, 67.804, 52.201 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.220 - 1.260 |
R-factor | 0.12419 |
Rwork | 0.123 |
R-free | 0.15231 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2rh2 |
RMSD bond length | 0.016 |
RMSD bond angle | 2.121 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.290 |
High resolution limit [Å] | 1.260 | 1.260 |
Rmerge | 0.072 | 0.499 |
Number of reflections | 15838 | |
<I/σ(I)> | 14.1 | 3 |
Completeness [%] | 99.6 | 96.5 |
Redundancy | 12.4 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 277 | 50% 2-methyl-2,4-pentanediol (MPD), 100 mM Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K, pH 8.00 |