2BR4
cmcI-D160 Mg-SAM
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 91.541, 102.364, 181.905 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.300 - 2.600 * |
R-factor | 0.202 |
Rwork | 0.199 |
R-free | 0.25900 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bm8 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.140 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.300 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.099 * | 0.490 |
Total number of observations | 876420 * | |
Number of reflections | 53933 | |
<I/σ(I)> | 13.4 | 1.9 |
Completeness [%] | 99.6 | 99.6 |
Redundancy | 7. * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7.5 | 20 * | * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | 0.2 (M) | ||
2 | 1 | reservoir | Tris | 0.1 (M) | pH7.5 |
3 | 1 | reservoir | PEG4000 | 10-14 (%) | |
4 | 1 | reservoir | PEG1000 | 4-7 (%) | |
5 | 1 | drop | SAM | 10 (mM) |