4C9T
BACTERIAL CHALCONE ISOMERASE IN open CONFORMATION FROM EUBACTERIUM RAMULUS AT 2.0 A RESOLUTION, SelenoMet derivative
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 | 172.391, 192.704, 203.877 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.450 - 1.980 |
R-factor | 0.13488 |
Rwork | 0.134 |
R-free | 0.15592 |
Structure solution method | SIRAS |
Starting model (for MR) | NONE |
RMSD bond length | 0.019 |
RMSD bond angle | 1.823 |
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 | 2.100 |
High resolution limit [Å] | 2.000 | 1.980 |
Rmerge | 0.200 | 1.200 |
Number of reflections | 457839 | |
<I/σ(I)> | 11.41 | 1.75 |
Completeness [%] | 99.7 | 98.1 |
Redundancy | 7.72 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 0.1 M HEPES PH 7.5, 0.2 M SODIUM CHLORIDE, 1.3 M AMMONIUM SULFATE; CRYO: 0.1 M HEPES PH 7.5, 0.2 M SODIUM CHLORIDE, 2 M AMMONIUM SULFATE, 22% GLYCEROL |