4C9S
BACTERIAL CHALCONE ISOMERASE IN open CONFORMATION FROM EUBACTERIUM RAMULUS AT 1.8 A RESOLUTION
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-11-28 |
Detector | MARRESEARCH |
Spacegroup name | I 21 21 21 |
Unit cell lengths | 171.246, 192.290, 204.635 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.070 - 1.800 |
R-factor | 0.13544 |
Rwork | 0.134 |
R-free | 0.15389 |
Structure solution method | SIRAS |
Starting model (for MR) | 4c9t |
RMSD bond length | 0.016 |
RMSD bond angle | 1.714 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | SHELXCDE |
Refinement software | REFMAC (5.7.0027) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.910 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.100 | 0.700 |
Number of reflections | 309268 | |
<I/σ(I)> | 12.25 | 2.14 |
Completeness [%] | 99.6 | 97.9 |
Redundancy | 4.15 | 4.08 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 0.1 M HEPES PH 7.5, 0.2 M SODIUM CHLORIDE, 1.7 M AMMONIUM SULFATE; CRYO: 0.1 M HEPES PH 7.5, 0.2 M SODIUM CHLORIDE, 2 M AMMONIUM SULFATE, 22% GLYCEROL |