3E2Q
Crystal Structure Reduced PutA86-630 Mutant Y540S Complexed with trans-4-hydroxy-L-proline
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) | 0.97949 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 73.080, 141.646, 145.605 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.431 - 1.750 |
| R-factor | 0.203 |
| Rwork | 0.201 |
| R-free | 0.22800 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.056 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 4.750 | 1.750 |
| Rmerge | 0.047 | 0.031 | 0.418 |
| Number of reflections | 76563 | ||
| Completeness [%] | 99.3 | 93.9 | 98.5 |
| Redundancy | 5.9 | 5.8 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.9 | 298 | 100 mM citrate buffer, 15-18% PEG 3350, pH 5.9, vapor diffusion, temperature 298K |
