3RUM
New strategy to analyze structures of glycopeptide antibiotic-target complexes
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Collection date | 2010-03-03 |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.833, 75.005, 90.778 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.416 - 1.851 |
R-factor | 0.1785 |
Rwork | 0.176 |
R-free | 0.21910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1anf |
RMSD bond length | 0.007 |
RMSD bond angle | 1.230 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.6.2_432) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 19.420 |
High resolution limit [Å] | 1.850 |
Number of reflections | 33176 |
Completeness [%] | 96.5 |
Redundancy | 4.06 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 5% isopropanol, 2M ammonium sulfate, vapor diffusion, sitting drop, temperature 291K |