6VWR
X-ray structure of clavaminate synthase with vanadyl, succinate, and deoxyguanidinoproclavaminic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-04-07 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.03314 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 79.288, 79.288, 105.573 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.500 |
Rwork | 0.175 |
R-free | 0.19600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1drt |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.400 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 53542 | |
<I/σ(I)> | 33.37 | |
Completeness [%] | 98.8 | |
Redundancy | 11.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | magnesium acetate, PEG3350 |