5N6T
Thermotoga maritima family 1 glycoside hydrolase complexed with a cyclophellitol analogue transition state mimic
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-11-21 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.87260 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 94.839, 94.840, 112.930 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.410 - 2.100 |
R-factor | 0.18671 |
Rwork | 0.184 |
R-free | 0.23666 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1od0 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.729 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.460 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.105 | 0.966 |
Rpim | 0.044 | 0.408 |
Number of reflections | 60171 | 4395 |
<I/σ(I)> | 12.8 | 2.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.4 | 7.5 |
CC(1/2) | 0.998 | 0.623 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 291 | PEG 4000, potassium sodium tartrate, bis-tris propane |