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 |
