2Y2Z
ligand-free form of TetR-like repressor SimR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-04-17 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | H 3 2 |
Unit cell lengths | 116.060, 116.060, 109.381 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.000 - 1.950 |
R-factor | 0.20634 |
Rwork | 0.205 |
R-free | 0.23366 |
Structure solution method | SAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.018 |
RMSD bond angle | 1.572 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0091) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.040 | 2.060 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.070 | 0.570 |
Number of reflections | 20761 | |
<I/σ(I)> | 20.6 | 3.8 |
Completeness [%] | 99.8 | 100 |
Redundancy | 7.8 | 7.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | HANGING DROP VAPOUR DIFFUSION. PROTEIN AT 5MG/ML IN 25MM TRIS-HCL PH8.4, 300MM NACL MIXED WITH 2% PEG 10000, 0.2M AMMONIUM ACETATE IN 0.1M BIS-TRIS PH5.5 IN 1 TO 1 RATIO. |