3U5V
Crystal structure of Max-E47
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.1 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 37.480, 49.466, 74.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.256 - 1.700 |
| R-factor | 0.2082 |
| Rwork | 0.207 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ql2 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.567 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 4.610 | 1.700 |
| Rmerge | 0.063 | 0.034 | 0.647 |
| Number of reflections | 7852 | ||
| <I/σ(I)> | 32.1 | 46.5 | 2.1 |
| Completeness [%] | 99.7 | 97.5 | 98.5 |
| Redundancy | 8.9 | 9 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277 | 5% glycerol, 3.2-3.5 M sodium nitrate, 0.1 M sodium acetate anhydrous, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
