4PGI
Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Analogs Bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-03-13 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0781 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 77.071, 77.071, 117.259 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.480 - 2.080 |
R-factor | 0.1956 |
Rwork | 0.194 |
R-free | 0.22170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4tw3 |
RMSD bond length | 0.010 |
RMSD bond angle | 0.950 |
Data reduction software | MD2 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.0) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 22.480 |
High resolution limit [Å] | 2.080 |
Number of reflections | 21862 |
<I/σ(I)> | 20 |
Completeness [%] | 100.0 |
Redundancy | 14.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 20% PEG3350, 0.2 M sodium tartrate |