2BMC
Aurora-2 T287D T288D complexed with PHA-680632
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 | 2002-01-25 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 74.020, 101.219, 101.494 |
| Unit cell angles | 115.73, 92.40, 101.54 |
Refinement procedure
| Resolution | 29.950 - 2.600 |
| Rwork | 0.228 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | UNPUBLISHED STRUCTURE |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNX (2000) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.080 | 0.330 |
| Number of reflections | 77069 | |
| <I/σ(I)> | 6.9 | 2.1 |
| Completeness [%] | 97.4 | 97.4 |
| Redundancy | 2.4 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 2.5M NACL, 0.1M NAAC, 0.2M LISO4 WITH NON-DETERGENT SULFOBETAINE 195 AS ADDITIVE IN THE DROP, pH 4.60 |
