5H05
Crystal structure of AmyP E221Q in complex with MALTOTRIOSE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.104, 209.894, 113.532 |
Unit cell angles | 90.00, 93.14, 90.00 |
Refinement procedure
Resolution | 37.577 - 2.550 |
R-factor | 0.1726 |
Rwork | 0.170 |
R-free | 0.22000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1j0h |
RMSD bond length | 0.008 |
RMSD bond angle | 0.933 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155: ???) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 2.640 |
High resolution limit [Å] | 2.550 | 5.490 | 2.550 |
Rmerge | 0.121 | 0.048 | 0.642 |
Rmeas | 0.143 | ||
Rpim | 0.076 | ||
Total number of observations | 330188 | ||
Number of reflections | 95440 | ||
<I/σ(I)> | 6.2 | ||
Completeness [%] | 99.7 | 99.2 | 99.9 |
Redundancy | 3.5 | 3.5 | 3.5 |
CC(1/2) | 0.997 | 0.764 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 283 | 0.1M sodium citrate (pH 6.0), 22.5% (v/v) 2-propanol, 22.5% (w/v) polyethylene glycol (PEG) 4000 |