6CWL
Crystal structure of SpaA-SLH in complex with beta-D-GlcNAc-(1->3)-4,6-Pyr-beta-D-ManNAcOMe
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-10-08 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 72.256, 72.256, 126.140 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.000 - 2.150 |
R-factor | 0.2175 |
Rwork | 0.215 |
R-free | 0.25520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6cwc |
RMSD bond length | 0.015 |
RMSD bond angle | 1.581 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 2.190 |
High resolution limit [Å] | 2.150 | 5.830 | 2.150 |
Rmerge | 0.073 | 0.049 | 0.545 |
Rmeas | 0.076 | 0.051 | 0.566 |
Rpim | 0.021 | 0.015 | 0.152 |
Total number of observations | 282615 | ||
Number of reflections | 21339 | ||
<I/σ(I)> | 11 | ||
Completeness [%] | 99.9 | 97.6 | 100 |
Redundancy | 13.2 | 11.7 | 13.6 |
CC(1/2) | 0.998 | 0.970 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | 50 mM ammonium sulfate, 50 mM Bis-Tris, pH 6.5, 30% v/v pentaerythritolethoxylate [15/4 EO/OH] |