4BJI
Sfc1-DBD
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-13 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.380, 67.640, 88.060 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.030 - 1.450 |
| R-factor | 0.1524 |
| Rwork | 0.151 |
| R-free | 0.16980 |
| Structure solution method | MAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.339 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHARP |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.490 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.080 | 0.540 |
| Number of reflections | 69358 | |
| <I/σ(I)> | 2.85 | 2.85 |
| Completeness [%] | 95.8 | 74 |
| Redundancy | 3.01 | 1.74 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 0.2 M MAGNESIUM CHLORIDE, 0.1 M TRIS, PH 8.5, 20% PEG 3,350 |
