4B9F
High resolution structure for family 3a carbohydrate binding module from the cipA scaffolding of clostridium thermocellum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-17 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 54.939, 58.868, 87.525 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.165 - 1.190 |
R-factor | 0.1517 |
Rwork | 0.151 |
R-free | 0.15920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1nbc |
RMSD bond length | 0.006 |
RMSD bond angle | 1.118 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.210 |
High resolution limit [Å] | 1.190 | 1.190 |
Rmerge | 0.080 | |
Number of reflections | 91467 | |
<I/σ(I)> | 25.2 | 1.5 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 7.9 | 7.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 1.85 M AMMONIUM SULFATE, pH 7.5 |