4Y9M
PA3825-EAL Metal-Free-Apo Structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-03-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 64.340, 64.340, 134.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.000 - 1.600 |
| R-factor | 0.18462 |
| Rwork | 0.182 |
| R-free | 0.22707 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3n3t |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.674 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.340 | 1.642 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.064 | 0.601 |
| Number of reflections | 36008 | |
| <I/σ(I)> | 18 | 3.2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 9.3 | 9.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.1 | 277 | 0.8 M sodium phosphate monobasic, 1.2 M potassium phosphate dibasic and 0.1 M sodium acetate pH 4.5 |
