2BKA
CC3(TIP30)Crystal Structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.2 |
| Synchrotron site | SRS |
| Beamline | PX14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-06-11 |
| Detector | ADSC CCD |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 68.140, 68.140, 119.200 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.580 - 1.700 |
| R-factor | 0.166 |
| Rwork | 0.166 |
| R-free | 0.19100 |
| Structure solution method | MAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.090 | 0.350 |
| Number of reflections | 665406 | |
| <I/σ(I)> | 33 | 6.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 18.5 | 15.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.4 | 1.8M AMMONIUM SULPHATE 0.1M TRIS AT PH 8.4 8% PEG 600 |
