8PNJ
Chorismate mutase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-11 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.608, 105.344, 55.776 |
Unit cell angles | 90.00, 112.48, 90.00 |
Refinement procedure
Resolution | 46.336 - 2.355 |
Rwork | 0.215 |
R-free | 0.28420 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.451 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0350) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.336 | 2.440 |
High resolution limit [Å] | 2.350 | 2.350 |
Number of reflections | 20939 | 1801 |
<I/σ(I)> | 4.1 | 1.1 |
Completeness [%] | 97.3 | 85 |
Redundancy | 3.1 | |
CC(1/2) | 0.959 | 0.475 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293.15 | 1:1 volume ratio of 5 mg/ml protein in 20 mM TRIS-HCl, pH=8, 150 uM NaCl buffer and 0.1M BTP, pH=8.5 0.2M KSCN 20% PEG3350 |