5ACM
Mcg immunoglobulin variable domain with methylene blue
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-08-13 |
| Detector | DECTRIS PILATUS 6M-F |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.220, 31.080, 73.630 |
| Unit cell angles | 90.00, 90.09, 90.00 |
Refinement procedure
| Resolution | 39.220 - 1.050 |
| R-factor | 0.11092 |
| Rwork | 0.110 |
| R-free | 0.12234 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4unu |
| RMSD bond length | 0.046 |
| RMSD bond angle | 3.272 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.080 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Rmerge | 0.070 | 0.590 |
| Number of reflections | 73808 | |
| <I/σ(I)> | 10 | 2.4 |
| Completeness [%] | 89.0 | 82 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 0.2 M NH4CL, 2.2 M (NH4)2SO4, 0.5 M METHYLENE BLUE, pH 8.5 |
