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 |