6WFH
Streptomyces coelicolor methylmalonyl-CoA epimerase substrate complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2020-02-23 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.97872 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 68.302, 68.302, 103.462 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.310 - 1.840 |
R-factor | 0.1653 |
Rwork | 0.164 |
R-free | 0.18630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jc5 |
RMSD bond length | 0.014 |
RMSD bond angle | 2.133 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.920 |
High resolution limit [Å] | 1.840 | 1.850 |
Rmerge | 0.120 | 1.103 |
Rmeas | 0.126 | |
Rpim | 0.035 | |
Number of reflections | 21795 | 2123 |
<I/σ(I)> | 9 | 2.632 |
Completeness [%] | 99.9 | 100 |
Redundancy | 13.2 | 13.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 25 mM sodium chloride, 100 mM Bis-Tris:HCl pH 7.0, 2.7 M ammonium sulfate, 5% PEG 400 |