2I34
The crystal structure of Class C acid phosphatase from Bacillus anthracis with tungstate bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 140 |
Detector technology | CCD |
Collection date | 2005-10-14 |
Detector | NOIR-1 |
Wavelength(s) | 1.0051 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.000, 89.940, 104.120 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.230 - 2.000 |
R-factor | 0.181 |
Rwork | 0.181 |
R-free | 0.22400 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.179 |
Data reduction software | d*TREK |
Data scaling software | d*TREK (9.4LDz) |
Phasing software | SOLVE (2.09) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.230 | 47.230 | 2.070 |
High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
Rmerge | 0.110 | 0.060 | 0.391 |
Total number of observations | 25168 | 24464 | |
Number of reflections | 34308 | ||
<I/σ(I)> | 8.4 | 15.7 | 3.5 |
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 7.15 | 6.87 | 7.15 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.1 M HEPES 30% v/v Jeffamine DE-2001 reagent, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |