2J4Z
Structure of Aurora-2 in complex with PHA-680626
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-01-28 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.127, 89.445, 94.037 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.580 - 2.000 |
Rwork | 0.214 |
R-free | 0.24900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bmc |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNX (2002) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.050 | 0.440 |
Number of reflections | 41492 | |
<I/σ(I)> | 23 | 3.7 |
Completeness [%] | 99.9 | 100 |
Redundancy | 4.9 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 30% PEG 5000MME, 0.2M SODIUM ACETATE 0.1M SODIUM CACODYLATE PH 6.5, 2MM DTT |