3CFO
Triple Mutant APO structure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-06-01 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 82.307, 116.424, 198.769 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.600 |
R-factor | 0.19376 |
Rwork | 0.192 |
R-free | 0.23512 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ih7 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.120 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.700 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.099 | 0.863 |
Number of reflections | 58580 | |
<I/σ(I)> | 1.15 | |
Completeness [%] | 98.7 | 98 |
Redundancy | 6.3 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 0.015 M MG ACETATE, 0.05M NA CACODYLATE, 1.7 M (NH4)2SO4, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |