3PER
Crystal Structure of BoxB with phosphate bound to the diiron center
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9999 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 112.310, 213.900, 138.980 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.813 - 2.100 |
R-factor | 0.1736 |
Rwork | 0.172 |
R-free | 0.20330 |
Structure solution method | SAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.104 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | SHARP |
Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.100 |
Rmerge | 0.075 |
Number of reflections | 96760 |
<I/σ(I)> | 11.8 |
Completeness [%] | 99.2 |
Redundancy | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 1.1 M NaH2PO4 0.2 M K2HPO4 0.1 M citrate / phosphate 0.1 M KCl 0.01M Tris , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
2 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 1.1 M NaH2PO4 0.2 M K2HPO4 0.1 M citrate / phosphate 0.1 M KCl 0.01M Tris , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |