4ONK
[Leu-5]-Enkephalin mutant - YVVFL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-08-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 |
| Unit cell lengths | 9.613, 13.827, 14.835 |
| Unit cell angles | 90.61, 103.12, 108.30 |
Refinement procedure
| Resolution | 9.278 - 1.900 |
| R-factor | 0.1549 |
| Rwork | 0.151 |
| R-free | 0.19940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | ideal beta strand with sequence AVVAA |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.842 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.5.2) |
| Refinement software | PHENIX (dev_1457) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 100.000 | 100.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
| Rmerge | 0.151 | 0.123 | 0.153 |
| Number of reflections | 537 | ||
| <I/σ(I)> | 10.7 | ||
| Completeness [%] | 96.9 | 94.7 | 90.9 |
| Redundancy | 3.8 | 4.6 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | reservoir contained 25% PEG 3350, 0.2M Potassium Thiocyanate, vapor diffusion, hanging drop, temperature 298K |
