3S4U
Crystal structure of open, unliganded E. coli PhnD H157A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 298 |
Detector technology | CCD |
Collection date | 2010-08-20 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.97929 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 103.735, 103.735, 58.422 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 3.300 |
R-factor | 0.19833 |
Rwork | 0.194 |
R-free | 0.28867 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.019 |
RMSD bond angle | 1.819 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER (for MR) |
Refinement software | REFMAC (5.6.0111) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 20.000 |
High resolution limit [Å] | 3.300 |
Number of reflections | 5123 |
Completeness [%] | 99.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.2 M magnesium chloride, 0.1 M Tris, pH 8.5, 25% w/v PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 298K |