3SD7
1.7 Angstrom Resolution Crystal Structure of Putative Phosphatase from Clostridium difficile
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Detector technology | CCD |
Collection date | 2011-06-06 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | I 41 |
Unit cell lengths | 116.333, 116.333, 36.080 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.650 - 1.700 |
R-factor | 0.16877 |
Rwork | 0.167 |
R-free | 0.19298 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mc1 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.298 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.048 | 0.541 |
Number of reflections | 26648 | |
<I/σ(I)> | 35 | 2.8 |
Completeness [%] | 99.2 | 91.1 |
Redundancy | 7.2 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 295 | Protein: 7.1mG/mL, 0.5M Sodium chloride, 0.01M Tris, pH 8.3, Screen: JCSG+, D12, 0.04M Potassium Phosphate, 16% (w/v) PEG 8000, 20% (v/v) Glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 295K |