4G8Z
pcDHFR K37S/F69N double mutant TMP NADPH ternary complex
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 | CCD |
| Collection date | 2011-02-11 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.975 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.157, 42.783, 59.172 |
| Unit cell angles | 90.00, 94.78, 90.00 |
Refinement procedure
| Resolution | 37.040 - 1.750 |
| R-factor | 0.26144 |
| Rwork | 0.259 |
| R-free | 0.31599 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dyr |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.299 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.040 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.210 | 0.320 |
| Number of reflections | 18585 | |
| <I/σ(I)> | 4.1 | 1.9 |
| Completeness [%] | 98.6 | 97.5 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 287 | 33-36% PEG 2K, 50 mM MES, pH 6.0, 100 mM KCl, VAPOR DIFFUSION, HANGING DROP, temperature 287K |
