4UHR
Thermostabilised HUMAN A2a Receptor with CGS21680 bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-11-03 |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.407, 59.187, 65.058 |
Unit cell angles | 90.00, 92.83, 90.00 |
Refinement procedure
Resolution | 64.980 - 2.600 |
R-factor | 0.26114 |
Rwork | 0.259 |
R-free | 0.31160 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ydo |
RMSD bond length | 0.006 |
RMSD bond angle | 1.023 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.340 | 2.740 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.100 | 0.560 |
Number of reflections | 13563 | |
<I/σ(I)> | 7.4 | 1.9 |
Completeness [%] | 95.1 | 97 |
Redundancy | 3.4 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.05 M ACETATE-HCL (PH4.8), 6% SUCROSE, 21.9% PENTHAETHYLENE GLYCOL |