5Z6F
High-pressure Crystal Structure Analysis of DHFR(0.1 MPa)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AichiSR BEAMLINE BL2S1 |
Synchrotron site | AichiSR |
Beamline | BL2S1 |
Temperature [K] | 297 |
Detector technology | CCD |
Collection date | 2016-02-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.75 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 34.114, 45.913, 99.079 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.658 - 1.801 |
R-factor | 0.1791 |
Rwork | 0.177 |
R-free | 0.21010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rx2 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.175 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.13_2998)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.660 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.109 | 0.717 |
Number of reflections | 15050 | |
<I/σ(I)> | 11.6 | |
Completeness [%] | 100.0 | |
Redundancy | 7.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | PEG 400, CaCl, imidazole buffer |