3DOR
Crystal Structure of mature CPAF
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BSRF BEAMLINE 3W1A |
Synchrotron site | BSRF |
Beamline | 3W1A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-12-06 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.300, 152.370, 162.580 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.270 - 2.200 |
R-factor | 0.2276 |
Rwork | 0.228 |
R-free | 0.26220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dja |
RMSD bond length | 0.006 |
RMSD bond angle | 1.358 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 90.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.061 | 0.478 |
Number of reflections | 78195 | |
<I/σ(I)> | 40 | 3.1 |
Completeness [%] | 99.0 | 91.2 |
Redundancy | 9.9 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 1.4M Li2SO4, 0.1M HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |