7SV5
Crystal structure of SpaA-SLH/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 | 2019-06-01 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 111.847, 45.320, 87.490 |
Unit cell angles | 90.00, 129.47, 90.00 |
Refinement procedure
Resolution | 19.860 - 1.720 |
R-factor | 0.1786 |
Rwork | 0.178 |
R-free | 0.19530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6cwn |
RMSD bond length | 0.003 |
RMSD bond angle | 1.207 |
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 | 1.780 |
High resolution limit [Å] | 1.720 | 3.700 | 1.720 |
Rmerge | 0.071 | 0.037 | 0.539 |
Rmeas | 0.077 | 0.040 | 0.622 |
Rpim | 0.029 | 0.015 | 0.301 |
Total number of observations | 217438 | ||
Number of reflections | 32683 | 3724 | 2970 |
<I/σ(I)> | 12.4 | ||
Completeness [%] | 90.3 | 99.9 | 82.6 |
Redundancy | 6.7 | 7 | 3.6 |
CC(1/2) | 0.998 | 0.699 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291.15 | 0.1 M HEPES pH 7.5, 25% (w/v) PEG 1000 |