3FST
Crystal Structure of Escherichia coli Methylenetetrahydrofolate Reductase Mutant Phe223Leu at pH 7.4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-01 |
| Detector | NOIR-1 |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 103.057, 128.157, 98.314 |
| Unit cell angles | 90.00, 121.97, 90.00 |
Refinement procedure
| Resolution | 32.144 - 1.650 |
| R-factor | 0.211 |
| Rwork | 0.210 |
| R-free | 0.22800 |
| Starting model (for MR) | 1zp4 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.126 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 34.950 | 34.950 | 1.710 |
| High resolution limit [Å] | 1.650 | 3.550 | 1.650 |
| Rmerge | 0.045 | 0.035 | 0.363 |
| Total number of observations | 47911 | 47641 | |
| Number of reflections | 129128 | ||
| <I/σ(I)> | 30.6 | 2.4 | |
| Completeness [%] | 99.6 | 97 | 100 |
| Redundancy | 3.75 | 3.67 | 3.67 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5 | 298 | 100 mM sodium cacodylate buffer pH 5.0- 5.5, 225 mM Li2SO4, 5 % ethanol and 10 - 12 % PEG 4000, vapor diffusion, temperature 298K |
