5ZZD
Crystal structure of a protein from Aspergillus flavus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL15A1 |
Synchrotron site | NSRRC |
Beamline | BL15A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-03-16 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 160.438, 62.202, 113.166 |
Unit cell angles | 90.00, 113.31, 90.00 |
Refinement procedure
Resolution | 24.580 - 1.850 |
R-factor | 0.18946 |
Rwork | 0.187 |
R-free | 0.23102 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.339 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELX |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 10.000 | 2.000 |
High resolution limit [Å] | 1.850 | 4.300 | 1.850 |
Rmerge | 0.055 | 0.017 | 0.491 |
Rmeas | 0.065 | 0.020 | 0.591 |
Rpim | 0.035 | 0.011 | 0.323 |
Total number of observations | 224575 | ||
Number of reflections | 85513 | 6808 | 6675 |
<I/σ(I)> | 14.3 | ||
Completeness [%] | 97.6 | 95.4 | 96.6 |
Redundancy | 3.3 | 3.3 | 3.2 |
CC(1/2) | 0.999 | 0.871 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 298 | 0.1M Sodium citrate pH 5.6 0.1M -0.6M Nacl , 20% PEG4000 |