4FYI
Crystal structure of rcl with 6-cyclopentyl-AMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Detector technology | CCD |
Collection date | 2010-04-22 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97950 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 91.567, 118.873, 57.537 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.500 - 1.960 |
R-factor | 0.18082 |
Rwork | 0.179 |
R-free | 0.21600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.160 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.500 | 2.000 |
High resolution limit [Å] | 1.960 | 1.960 |
Rmerge | 0.307 | |
Number of reflections | 48894 | |
<I/σ(I)> | 3.3 | |
Completeness [%] | 96.9 | 92.9 |
Redundancy | 7.7 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 291 | 100 mM Tris, 1.1 Ammonium Sulphate, 20 mM MgAcetate, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 291.K |