5CF2
Crystal Structure of the I80Y/L114V/I116V mutant of LEH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-03 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 3 |
| Unit cell lengths | 103.651, 103.651, 73.263 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.632 - 3.000 |
| R-factor | 0.1886 |
| Rwork | 0.186 |
| R-free | 0.24110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nu3 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.301 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.050 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Number of reflections | 17652 | |
| <I/σ(I)> | 4.7 | |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 7.4 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 2.4M sodium/potassium phosphate, 0.1M tris-HCl |
