4JKI
Crystal Structure of N10-Formyltetrahydrofolate Synthetase with ZD9331, Formylphosphate, and ADP
Replaces: 3SINExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-08-12 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 162.373, 162.373, 258.074 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.030 - 2.600 |
| R-factor | 0.18952 |
| Rwork | 0.186 |
| R-free | 0.24922 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3SIN |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.531 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.670 |
| High resolution limit [Å] | 2.580 | 5.560 | 2.580 |
| Rmerge | 0.049 | 0.017 | 0.571 |
| <I/σ(I)> | 10.6 | ||
| Completeness [%] | 91.1 | 97.1 | 31.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 278 | 75 mM Potassium Maleate Buffer pH 7.0-8.5, 1 mM dithiothreitol, 40% Ammonium Sulfate, 20% PEG 1000, vapor diffusion, hanging drop, temperature 278K |
