3SE7
ancient VanA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-08-05 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 84.133, 136.032, 178.090 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 108.100 - 3.070 |
R-factor | 0.19705 |
Rwork | 0.193 |
R-free | 0.26268 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 1.177 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 108.100 | 3.120 |
High resolution limit [Å] | 3.070 | 3.070 |
Number of reflections | 38823 | |
Completeness [%] | 99.8 | 99.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 0.1M sodium acetate, 25% PEG3000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |