5NBS
Structural studies of a Glycoside Hydrolase Family 3 beta-glucosidase from the Model Fungus Neurospora crassa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-3 |
Synchrotron site | MAX II |
Beamline | I911-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-10-14 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 142.931, 286.837, 58.045 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.000 - 2.250 |
R-factor | 0.18227 |
Rwork | 0.180 |
R-free | 0.21968 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4iib |
RMSD bond length | 0.008 |
RMSD bond angle | 1.357 |
Data reduction software | XDS (February 3, 2010) |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.000 | 2.308 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.028 | 0.380 |
Rmeas | 0.040 | 0.530 |
Rpim | 0.028 | 0.380 |
Number of reflections | 113592 | 7878 |
<I/σ(I)> | 22.9 | 4.3 |
Completeness [%] | 99.2 | 99.15 |
Redundancy | 1.9 | 1.9 |
CC(1/2) | 0.998 | 0.825 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.1 | 293 | 0.2 M ammonium citrate dibasic at pH 5.1 and 20 % w/v Polyethylene glycol 3350 |