4IXF
pcDHFR-269 F69N 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 | 37.365, 42.749, 60.918 |
Unit cell angles | 90.00, 95.46, 90.00 |
Refinement procedure
Resolution | 37.200 - 1.700 |
R-factor | 0.20209 |
Rwork | 0.200 |
R-free | 0.24802 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cd2 |
RMSD bond length | 0.020 |
RMSD bond angle | 2.143 |
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] | 37.200 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.080 | 0.610 |
Number of reflections | 21146 | |
<I/σ(I)> | 7.2 | 1.4 |
Completeness [%] | 99.5 | 97.6 |
Redundancy | 3.6 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 287 | 35% PEG 2000, 49 mM MES, 100 mM KCl, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 287K |