6LOQ
crystal structure of alpha-momorcharin in complex with cAMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-12-06 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | H 3 |
Unit cell lengths | 130.471, 130.471, 39.673 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.604 - 1.331 |
Rwork | 0.216 |
R-free | 0.25720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f8q |
RMSD bond length | 0.009 |
RMSD bond angle | 1.511 |
Data reduction software | HKL-2000 (V718) |
Data scaling software | HKL-2000 (V718) |
Phasing software | MOLREP (V11.7) |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.380 |
High resolution limit [Å] | 1.330 | 1.330 |
Rmerge | 0.080 | 0.943 |
Rmeas | 0.092 | |
Rpim | 0.044 | 0.460 |
Number of reflections | 55352 | 5700 |
<I/σ(I)> | 14.2 | 1.6 |
Completeness [%] | 96.0 | |
Redundancy | 5 | |
CC(1/2) | 0.992 | 0.683 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.2 M Magnesium Acetate, 20% PEG 8000, 0.1 M Sodium cacodylate, pH 6.5 |