4YLH
Crystal structure of DpgC with bound substrate analog and Xe on oxygen diffusion pathway
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12B |
Synchrotron site | NSLS |
Beamline | X12B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-08-16 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.500 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 139.135, 170.941, 156.003 |
Unit cell angles | 90.00, 90.02, 90.00 |
Refinement procedure
Resolution | 39.520 - 2.580 |
R-factor | 0.17307 |
Rwork | 0.171 |
R-free | 0.20822 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2npg |
RMSD bond length | 0.018 |
RMSD bond angle | 1.747 |
Data reduction software | XDS (Darwin9.8.0.) |
Data scaling software | Aimless (0.2.8) |
Phasing software | MOLREP (11.2.05) |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.520 | 2.672 |
High resolution limit [Å] | 2.580 | 2.580 |
Rmerge | 0.076 | 0.361 |
Number of reflections | 228105 | |
<I/σ(I)> | 0.0907 | 3.56 |
Completeness [%] | 99.7 | 97.54 |
Redundancy | 3.4 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 165 mM ammonium acetate, and 24% (w/v) PEG 4000, pH 5.6 |