2X46
Crystal Structure of SeMet Arg r 1
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-16 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 32.497, 55.661, 61.928 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.000 |
| R-factor | 0.13639 |
| Rwork | 0.135 |
| R-free | 0.15735 |
| Structure solution method | MAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.581 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.100 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rmerge | 0.050 | 0.170 |
| Number of reflections | 61187 | |
| <I/σ(I)> | 26.8 | 10 |
| Completeness [%] | 99.5 | 98.7 |
| Redundancy | 8.4 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 30% POLYETHYLENE GLYCOL 4000, 0.1 M TRIS.HCL, PH 8.5, 0.2 M SODIUM ACETATE |
