4X8Q
X-ray crystal structure of AlkD2 from Streptococcus mutans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-03-29 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.016, 65.091, 87.497 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.153 - 1.729 |
R-factor | 0.1528 |
Rwork | 0.152 |
R-free | 0.16800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3l9t |
RMSD bond length | 0.006 |
RMSD bond angle | 0.974 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: dev_1819)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.760 |
High resolution limit [Å] | 1.729 | 4.690 | 1.730 |
Rmerge | 0.064 | 0.036 | 0.383 |
Total number of observations | 250066 | ||
Number of reflections | 31143 | ||
<I/σ(I)> | 11.8 | 4.8 | |
Completeness [%] | 99.1 | 98.2 | 84.1 |
Redundancy | 8 | 7.3 | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 294 | 18% (w/v) PEG 3350, 200 mM sodium phosphate, pH 4.7 |