7DNR
Crystal Structure of Zn-bound SIS Domain of Glucosamine-6-P Synthase from E. coli
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-12-28 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.099, 67.889, 73.952 |
Unit cell angles | 90.00, 111.44, 90.00 |
Refinement procedure
Resolution | 23.520 - 1.700 |
R-factor | 0.2149 |
Rwork | 0.214 |
R-free | 0.23510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1moq |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.630 |
High resolution limit [Å] | 1.600 | 4.340 | 1.600 |
Rmerge | 0.046 | 0.031 | 0.694 |
Rmeas | 0.050 | 0.033 | 0.753 |
Rpim | 0.019 | 0.013 | 0.289 |
Total number of observations | 577746 | ||
Number of reflections | 85139 | 4368 | 4260 |
<I/σ(I)> | 7.5 | ||
Completeness [%] | 100.0 | 99.5 | 100 |
Redundancy | 6.8 | 6.5 | 6.6 |
CC(1/2) | 0.999 | 0.859 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291.15 | PEG 5000 MME, sodium acetate, zinc cloride |