3AXJ
High resolution crystal structure of C3PO
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-20 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9792 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 101.676, 114.720, 123.909 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.850 - 2.100 |
R-factor | 0.20449 |
Rwork | 0.203 |
R-free | 0.23842 |
Structure solution method | SAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.375 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHARP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 40056 | |
Completeness [%] | 99.4 | 99.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | PEG, Cacodylate, Mg2+, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |