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 |
