4WY0
PdxS (G. stearothermophilus) co-crystallized with R5P in the presence of ammonia.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-12-13 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.033 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 94.680, 107.198, 178.215 |
Unit cell angles | 90.00, 92.24, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.300 |
R-factor | 0.1929 |
Rwork | 0.191 |
R-free | 0.22230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1znn |
RMSD bond length | 0.006 |
RMSD bond angle | 1.085 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.5.2) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.380 |
High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
Rmerge | 0.093 | 0.053 | 0.740 |
Total number of observations | 608487 | ||
Number of reflections | 158883 | ||
<I/σ(I)> | 9.6 | ||
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 3.8 | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | PEG 8000, Na cacodylate, ammonium citrate |