2NRA
Crystal structure of Pi initiator protein in complex with iteron DNA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-02-23 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.076 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 125.900, 125.900, 138.200 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.100 - 3.100 |
R-factor | 0.227 |
Rwork | 0.224 |
R-free | 0.26700 |
Structure solution method | MAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.854 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.100 | 3.210 |
High resolution limit [Å] | 3.100 | 3.100 |
Rmerge | 0.064 | 0.449 |
Number of reflections | 12173 | |
<I/σ(I)> | 44.9 | 4.2 |
Completeness [%] | 99.5 | 100 |
Redundancy | 10 | 8.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 294 | 5% polyethylene glycol 8000, 50 mM MgCl2 and 100 mM NH4H2PO4, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 294 | 5% polyethylene glycol 8000, 50 mM MgCl2 and 100 mM NH4H2PO4, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 294 | 5% polyethylene glycol 8000, 50 mM MgCl2 and 100 mM NH4H2PO4, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | polyethylene glycol 8000 | ||
2 | 1 | 1 | MgCl2 | ||
3 | 1 | 1 | NH4H2PO4 | ||
4 | 1 | 1 | H2O | ||
5 | 1 | 2 | polyethylene glycol 8000 | ||
6 | 1 | 2 | MgCl2 | ||
7 | 1 | 2 | NH4H2PO4 | ||
8 | 1 | 2 | H2O |