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. |
