4M93
Unliganded 2 crystal structure of S25-26 Fab
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-01 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9794 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 118.894, 88.806, 101.890 |
| Unit cell angles | 90.00, 102.06, 90.00 |
Refinement procedure
| Resolution | 24.870 - 2.090 |
| R-factor | 0.2194 |
| Rwork | 0.218 |
| R-free | 0.25130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4m7j |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.458 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.000 | 25.000 | 2.160 |
| High resolution limit [Å] | 2.090 | 4.490 | 2.090 |
| Rmerge | 0.114 | 0.076 | 0.577 |
| Number of reflections | 61241 | ||
| <I/σ(I)> | 12.6 | ||
| Completeness [%] | 98.1 | 98.8 | 96.8 |
| Redundancy | 3.2 | 3.3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 289 | 0.1M MES, 0.2M calcium acetate, 10% (V/V) isopropanol, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
