3IPK
Crystal Structure of A3VP1 of AgI/II of Streptococcus mutans
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 | 2007-12-16 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.031, 164.146, 67.733 |
Unit cell angles | 90.00, 91.03, 90.00 |
Refinement procedure
Resolution | 42.720 - 2.040 |
R-factor | 0.181 |
Rwork | 0.181 |
R-free | 0.22200 |
Starting model (for MR) | 1jmm |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.110 |
High resolution limit [Å] | 2.040 | 2.040 |
Rmerge | 0.062 | 0.182 |
Number of reflections | 66337 | |
<I/σ(I)> | 29.3 | 8.88 |
Completeness [%] | 95.9 | 91 |
Redundancy | 7.6 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 30% MME PEG 2000, 0.2M Ammonium sulfate, 0.05M Sodium cacodylate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |