1JBE
1.08 A Structure of apo-Chey reveals meta-active conformation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1999-08-18 |
Detector | ADSC |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.122, 46.652, 53.120 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 100.000 - 1.080 |
R-factor | 0.114 * |
Rwork | 0.121 |
R-free | 0.15200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | APO-CHEY (PDB CODE: 3CHY) |
RMSD bond length | 0.007 |
RMSD bond angle | 0.022 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 1.120 |
High resolution limit [Å] | 1.080 | 1.080 |
Rmerge | 0.048 | 0.212 |
Number of reflections | 42147 | |
<I/σ(I)> | 23.2 | 3.9 |
Completeness [%] | 86.9 | 70.2 |
Redundancy | 3.3 | 2.08 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICRODIALYSIS | 8.3 | 293 | Volz, K., (1991) J. Biol. Chem., 266, 15511. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | ammonium sulfate | 2.2 (M) | |
2 | 1 | 1 | Tris-HCl | 50 (mM) |