6CZG
Structure of a redesigned beta barrel, b11L5F_LGL
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-10-19 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 84.920, 35.314, 59.554 |
Unit cell angles | 90.00, 90.87, 90.00 |
Refinement procedure
Resolution | 29.774 - 2.200 |
R-factor | 0.231 |
Rwork | 0.226 |
R-free | 0.27990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Design |
RMSD bond length | 0.002 |
RMSD bond angle | 0.697 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.7.16) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.240 |
High resolution limit [Å] | 2.200 | 5.970 | 2.200 |
Rmerge | 0.029 | 0.025 | 0.064 |
Rmeas | 0.032 | 0.027 | 0.069 |
Rpim | 0.012 | 0.011 | 0.026 |
Number of reflections | 9069 | 490 | 437 |
<I/σ(I)> | 19.7 | ||
Completeness [%] | 98.5 | 98.6 | 98.6 |
Redundancy | 7.4 | 6.8 | 7.3 |
CC(1/2) | 0.999 | 0.997 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1 M Bis-Tris pH 6.5, 45% Polypropylene glycol P 400 |