2GF3
Structure of the complex of monomeric sarcosine with its substrate analogue inhibitor 2-furoic acid at 1.3 A resolution.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.727, 69.440, 73.671 |
| Unit cell angles | 90.00, 94.16, 90.00 |
Refinement procedure
| Resolution | 14.980 - 1.300 |
| Rwork | 0.170 |
| R-free | 0.19500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1L9F |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.700 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.065 | 0.237 |
| Number of reflections | 170534 | |
| <I/σ(I)> | 20 | 1.9 |
| Completeness [%] | 95.3 | 82.4 |
| Redundancy | 4.2 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.7 | 298 | 1.8-2.1M Sodium/potassium phosphate, pH 6.7, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
