8PNI
Chorismate mutase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-09-17 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.873 |
Spacegroup name | P 32 |
Unit cell lengths | 48.445, 48.445, 113.364 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.350 - 1.210 |
Rwork | 0.143 |
R-free | 0.17060 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.472 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0350) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.350 | 1.230 |
High resolution limit [Å] | 1.210 | 1.210 |
Number of reflections | 88399 | 3688 |
<I/σ(I)> | 15 | 1.5 |
Completeness [%] | 97.4 | 79.8 |
Redundancy | 9.8 | 7.8 |
CC(1/2) | 0.999 | 0.507 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293.15 | 1:3 volume ratio of 8 mg/mL protein in 20 mM Bis-Tris, pH 6.5 storage buffer and 0.2 M ammonium citrate dibasic 20% (w/v) PEG 3350 |