2BS8
Crystal structure of F17b-G in complex with N-acetyl-D-glucosamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-11-20 |
Detector | MARRESEARCH |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 96.506, 96.506, 97.877 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.910 - 2.250 |
R-factor | 0.3317 |
Rwork | 0.332 |
R-free | 0.39720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1o9w |
RMSD bond length | 0.007 |
RMSD bond angle | 1.700 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.000 | 2.320 |
High resolution limit [Å] | 2.240 | 2.240 |
Rmerge | 0.120 | 0.210 |
Number of reflections | 11000 | |
<I/σ(I)> | 10 | 5 |
Completeness [%] | 96.8 | 91.1 |
Redundancy | 5.1 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | HANGING DROP: 1 MICROLITER OF 10% ETHANOL WITH 1.5 M NACL PLUS 1 MICROLITER OF 16 MG/ML F17BG |