3E2R
Crystal Structure PutA86-630 Mutant Y540S Complexed with L-tetrahydro-2-furoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-30 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97922 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 72.648, 140.102, 146.665 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.159 - 1.850 |
| R-factor | 0.199 |
| Rwork | 0.198 |
| R-free | 0.22700 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.962 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 99.000 | 99.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 3.990 | 1.850 |
| Rmerge | 0.059 | 0.024 | 0.481 |
| Number of reflections | 63740 | ||
| Completeness [%] | 99.5 | 99.7 | 95.7 |
| Redundancy | 6.1 | 5.9 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 298 | 100 mM citrate buffer pH 5.8-6.0, 15-18% PEG 3350, vapor diffusion, temperature 298K, VAPOR DIFFUSION |
