6FOP
Glycoside hydrolase family 81 from Clostridium thermocellum (CtLam81A), Mutant E515A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-03-08 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9919 |
Spacegroup name | I 21 21 21 |
Unit cell lengths | 61.917, 139.033, 197.909 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.150 - 1.400 |
R-factor | 0.1089 |
Rwork | 0.108 |
R-free | 0.13270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4k3a |
RMSD bond length | 0.010 |
RMSD bond angle | 1.481 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.27) |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.150 | 45.150 | 1.420 |
High resolution limit [Å] | 1.400 | 7.670 | 1.400 |
Rmerge | 0.066 | 0.058 | 0.608 |
Total number of observations | 1103933 | 7498 | 55838 |
Number of reflections | 166379 | 1143 | 8147 |
<I/σ(I)> | 14.7 | 35 | 2.8 |
Completeness [%] | 99.5 | 99.4 | 99 |
Redundancy | 6.6 | 6.6 | 6.9 |
CC(1/2) | 0.998 | 0.994 | 0.904 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 30% (w/v) 2-methyl-2,4-pentanediol, 0.1M sodium acetate pH4,6 and 0.02M calcium chloride |