4IXG
pcDHFR-268-K37S-N69F variant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 113 |
Detector technology | IMAGE PLATE |
Collection date | 2011-04-19 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 0.975 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 37.211, 42.603, 60.534 |
Unit cell angles | 90.00, 94.82, 90.00 |
Refinement procedure
Resolution | 34.800 - 1.700 |
R-factor | 0.23034 |
Rwork | 0.228 |
R-free | 0.28025 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cd2 |
RMSD bond length | 0.019 |
RMSD bond angle | 2.264 |
Data reduction software | MOSFLM |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.068 | 0.390 |
Number of reflections | 20874 | |
<I/σ(I)> | 6.3 | 1.6 |
Completeness [%] | 98.1 | 98.1 |
Redundancy | 2.5 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 287 | 35% PEG2000, 49 mM MES, 100 mM KCl, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 287K |