3ZC1
Crystal structure of AfC3PO
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-01 |
Detector | ADSC CCD |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 183.310, 183.310, 111.280 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 53.560 - 3.269 |
R-factor | 0.2246 |
Rwork | 0.221 |
R-free | 0.28130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zc0 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.279 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | SnB |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.750 | 3.350 |
High resolution limit [Å] | 3.270 | 3.270 |
Rmerge | 0.080 | 0.750 |
Number of reflections | 29895 | |
<I/σ(I)> | 17.5 | 2.8 |
Completeness [%] | 99.9 | 100 |
Redundancy | 9.2 | 9.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 9.5 - 10 % PEG 3K, 100 MM KCL, 200 MM MGCL2, 40 MM SODIUM CACODYLATE PH 5.5, 5 MM DTT. |