8H2C
Crystal structure of the pseudaminic acid synthase PseI from Campylobacter jejuni
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-03-02 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 176.805, 176.805, 99.824 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.900 |
R-factor | 0.2472 |
Rwork | 0.245 |
R-free | 0.29510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Alpha fold2 model |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.950 |
High resolution limit [Å] | 2.900 | 2.900 |
Number of reflections | 35895 | 1787 |
<I/σ(I)> | 11 | 1.2 |
Completeness [%] | 97.9 | 99.9 |
Redundancy | 8.3 | 8 |
CC(1/2) | 0.981 | 0.390 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | PEG 4000, lithium sulfate, Tris, pH 8.0 |