6OBX
Montbretin A analogue M10-MbA in complex with Human pancreatic alpha-amylase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-01-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.420, 68.220, 130.330 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.600 - 1.300 |
R-factor | 0.0999 |
Rwork | 0.099 |
R-free | 0.12270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5u3a |
RMSD bond length | 0.009 |
RMSD bond angle | 1.130 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.600 | 1.330 |
High resolution limit [Å] | 1.300 | 1.300 |
Number of reflections | 113320 | 8212 |
<I/σ(I)> | 19.68 | |
Completeness [%] | 98.1 | |
Redundancy | 8.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 100 mM sodium cacodylate, 52-58% MPD |