7SV6
Crystal structure of SpaA-SLH/G46A/G109A in complex with 4,6-Pyr-beta-D-ManNAc-(1->4)-beta-D-GlcNAcOMe
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-01-25 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 33.303, 65.611, 72.290 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.630 - 1.850 |
R-factor | 0.1877 |
Rwork | 0.186 |
R-free | 0.21730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6cwm |
RMSD bond length | 0.004 |
RMSD bond angle | 1.228 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 1.920 |
High resolution limit [Å] | 1.850 | 3.980 | 1.850 |
Rmerge | 0.099 | 0.051 | 0.540 |
Rmeas | 0.113 | 0.058 | 0.646 |
Rpim | 0.053 | 0.028 | 0.345 |
Total number of observations | 59023 | ||
Number of reflections | 13823 | 1474 | 1334 |
<I/σ(I)> | 8.1 | ||
Completeness [%] | 98.2 | 96.2 | 99.3 |
Redundancy | 4.3 | 4 | 3.2 |
CC(1/2) | 0.997 | 0.795 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 0.1 M sodium acetate, 25% (w/v) PEG 4000, 8% (w/v) isopropanol |