2RH2
High Resolution DHFR R-67
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-04-15 |
Detector | RIGAKU SATURN 92 |
Wavelength(s) | 1.5418 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 67.810, 67.810, 51.970 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 0.960 |
R-factor | 0.10387 |
Rwork | 0.103 |
R-free | 0.11683 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vie |
RMSD bond length | 0.016 |
RMSD bond angle | 1.648 |
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] | 25.000 | 0.990 |
High resolution limit [Å] | 0.960 | 0.960 |
Rmerge | 0.100 | 0.657 |
Number of reflections | 32858 | |
<I/σ(I)> | 27.1 | 3.6 |
Completeness [%] | 96.8 | 91.1 |
Redundancy | 16.3 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 50% 2-methyl-2,4-pentanediol (MPD), 100 mM Tris at pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |