6XBR
Streptomyces coelicolor methylmalonyl-CoA epimerase (E43L) in complex with 2-nitronate-propionyl-CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 80 |
Detector technology | IMAGE PLATE |
Collection date | 2019-04-05 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 0.97856 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 68.601, 68.601, 103.582 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.430 - 1.550 |
R-factor | 0.1505 |
Rwork | 0.149 |
R-free | 0.16990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jc5 |
RMSD bond length | 0.015 |
RMSD bond angle | 2.285 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.8.2) |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.610 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.104 | 0.815 |
Rmeas | 0.108 | 0.846 |
Rpim | 0.029 | 0.227 |
Number of reflections | 36301 | 3510 |
<I/σ(I)> | 437.9 | 9.4 |
Completeness [%] | 99.1 | 98.2 |
Redundancy | 13.8 | 13.6 |
CC(1/2) | 0.995 | 0.891 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 100 mM Bis-Tris:HCl pH 7.0, 700 mM ammonium sulfate, 5% PEG 400 |