2NXF
Crystal Structure of a dimetal phosphatase from Danio rerio LOC 393393
Experimental procedure
Experimental method | MAD |
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 | 2006-11-08 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97923, 0.96400 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 62.584, 86.593, 157.315 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.276 - 1.700 |
R-factor | 0.162 |
Rwork | 0.161 |
R-free | 0.18000 |
Structure solution method | MAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.241 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHARP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.276 | 80.000 | 1.740 |
High resolution limit [Å] | 1.700 | 4.190 | 1.700 |
Rmerge | 0.083 | 0.051 | 0.431 |
Number of reflections | 47311 | ||
<I/σ(I)> | 14.348 | 3.077 | |
Completeness [%] | 99.8 | 99.6 | 98.1 |
Redundancy | 13.6 | 13.9 | 8.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | Protein Solution (10 MG/ML protein, 0.050 M sodium chloride, 0.0031 M sodium azide, 0.0003 M TCEP, 0.005 M BisTris pH 7.0) mixed in a 1:1 ratio with the Well Solution (10.4% PEG 4K, 0.40 M sodium chloride, 0.10 M HEPES pH 7.5) Cryoprotected with: 15% PEG 8K, 0.30 M ammonium thiocyanate, 0.010 M sodium dihydrogen phosphate, 0.0005 M zinc sulfate, 0.10 M HEPPS pH 8.5 supplemented with up to 20% ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |