3B01
Crystal structure of the laminarinase catalytic domain from Thermotoga maritima MSB8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13C1 |
Synchrotron site | NSRRC |
Beamline | BL13C1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97622 |
Spacegroup name | P 43 |
Unit cell lengths | 120.305, 120.305, 107.154 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.500 - 1.870 |
R-factor | 0.15348 |
Rwork | 0.152 |
R-free | 0.18771 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3azy |
RMSD bond length | 0.007 |
RMSD bond angle | 1.406 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.940 |
High resolution limit [Å] | 1.870 | 1.870 |
Rmerge | 0.065 | 0.517 |
Number of reflections | 125562 | |
<I/σ(I)> | 27.4 | 3.9 |
Completeness [%] | 99.7 | 100 |
Redundancy | 6.2 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 41-46% (w/v) polypropylenglycol P400, 0.05-0.2M (NH4)2SO4, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |