3UNY
Bacillus cereus phosphopentomutase T85E variant soaked with glucose 1,6-bisphosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-08-21 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 106.582, 76.791, 182.287 |
Unit cell angles | 90.00, 106.07, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.950 |
R-factor | 0.16849 |
Rwork | 0.167 |
R-free | 0.19919 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.101 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.010 |
High resolution limit [Å] | 1.950 | 1.950 |
Number of reflections | 206406 | |
Completeness [%] | 99.2 | 95.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 100 mM Bis-Tris, pH 5.5, 50 mM manganese chloride, 17% PEG3350, 75 mM ammonium acetate, soaked with 5 mM glucose 1,6-bisphosphate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |