3QDE
The structure of Cellobiose phosphorylase from Clostridium thermocellum in complex with phosphate
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 | 2009-11-19 |
Detector | MARmosaic 300 |
Wavelength(s) | 0.97857 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 83.262, 122.062, 181.996 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.326 - 2.400 |
R-factor | 0.1536 |
Rwork | 0.151 |
R-free | 0.20830 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.933 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.460 |
High resolution limit [Å] | 2.400 | 5.920 | 2.400 |
Rmerge | 0.127 | 0.068 | 0.420 |
Number of reflections | 73974 | ||
<I/σ(I)> | 10.5 | ||
Completeness [%] | 99.5 | 99.4 | 97.6 |
Redundancy | 6.2 | 6.2 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | Protein Solution (5.0 mg/ml protein, 0.05 M NaCl, 0.0003 M NaN3, and 0.005 M HEPES pH 7) mixed in a 1:1 ratio with the Well Solution (0.157 M (NH4)2HPO4, 2.143 M (NH4)H2PO4, and 0.1 M Tris pH 8.0). Cryoprotected with 0.157 M (NH4)2HPO4, 2.143 M (NH4)H2PO4, 5% ethylene glycol, and 0.1 M Tris pH 8.0, vapor diffusion, hanging drop, temperature 298K, VAPOR DIFFUSION, HANGING DROP |