8BGP
N,N-diacetylchitobiose deacetylase from Pyrococcus chitonophagus anomalous data
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-07-08 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.2815 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.642, 158.654, 158.517 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.700 - 2.510 |
R-factor | 0.2194 |
Rwork | 0.218 |
R-free | 0.26140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8bgn |
RMSD bond length | 0.007 |
RMSD bond angle | 1.449 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.700 | 2.619 |
High resolution limit [Å] | 2.506 | 2.506 |
Rmerge | 0.199 | |
Number of reflections | 129806 | 2179 |
<I/σ(I)> | 11.052 | |
Completeness [%] | 97.3 | |
Redundancy | 12.98 | |
CC(1/2) | 0.432 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 308 | 2.0M ammonium sulfate, 0.1M HEPES pH 7.5, 2% v/v PEG 400 |