2XRU
AURORA-A T288E COMPLEXED WITH PHA-828300
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-09-17 |
Detector | ADSC CCD |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 82.467, 82.467, 165.453 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.980 - 2.900 |
R-factor | 0.247 |
Rwork | 0.247 |
R-free | 0.34400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.100 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.000 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.050 | 0.750 |
Number of reflections | 7931 | |
<I/σ(I)> | 34.6 | 3.2 |
Completeness [%] | 99.8 | 99.7 |
Redundancy | 10.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.6 | 15% PEG 5000 MME, 0.2 M LITHIUM SULFATE, 0.1 M SODIUM CITRATE PH 5.6 & 2 MM DTT |