7C6L
Crystal structure of beta-glycosides-binding protein (W177X) of ABC transporter in a closed state bound to cellotriose (Form II)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2019-04-12 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.000, 100.340, 133.230 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 66.610 - 2.400 |
R-factor | 0.1947 |
Rwork | 0.191 |
R-free | 0.26340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7c63 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.780 |
Data reduction software | MOSFLM (7.2.2) |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 66.610 | 66.610 | 2.490 |
High resolution limit [Å] | 2.400 | 8.980 | 2.400 |
Rmerge | 0.131 | 0.054 | 0.517 |
Rmeas | 0.142 | 0.059 | 0.563 |
Rpim | 0.054 | 0.023 | 0.219 |
Total number of observations | 217551 | 4512 | 20686 |
Number of reflections | 32723 | 726 | 3337 |
<I/σ(I)> | 11.4 | 22.8 | 3.6 |
Completeness [%] | 99.9 | 99.9 | 99.5 |
Redundancy | 6.6 | 6.2 | 6.2 |
CC(1/2) | 0.994 | 0.996 | 0.905 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 293 | 0.2 M Ammonium sulphate, 60% PEG 8000 |