3L7K
Structure of the Wall Teichoic Acid Polymerase TagF, H444N + CDPG (15 minute soak)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-06-01 |
Detector | MARRESEARCH |
Wavelength(s) | 1 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 222.040, 222.040, 100.910 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.857 - 3.100 |
R-factor | 0.1927 |
Rwork | 0.190 |
R-free | 0.25180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3l7i |
RMSD bond length | 0.008 |
RMSD bond angle | 1.156 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SHELXS |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.110 |
High resolution limit [Å] | 2.950 | 2.950 |
Rmerge | 0.089 | 0.620 |
Number of reflections | 353235 | |
<I/σ(I)> | 15.6 | 1.4 |
Completeness [%] | 98.5 | 92.9 |
Redundancy | 6.7 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 2M ammonium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |