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 |