2WYR
3-D structure of PhTET1-12s, dodecamer in the asymmetric unit
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-06-18 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 113.263, 205.218, 113.488 |
Unit cell angles | 90.00, 100.78, 90.00 |
Refinement procedure
Resolution | 49.684 - 2.245 |
R-factor | 0.1726 |
Rwork | 0.170 |
R-free | 0.21990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2cf4 DODECAMER RECONSTRUCTED USING CRYSTALLOGRAPHIC SYMMETRY OPERATORS |
RMSD bond length | 0.008 |
RMSD bond angle | 1.205 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 111.480 | 2.380 |
High resolution limit [Å] | 2.240 | 2.240 |
Rmerge | 0.090 | 0.470 |
Number of reflections | 1810946 | |
<I/σ(I)> | 17.8 | 4.63 |
Completeness [%] | 99.1 | 95.1 |
Redundancy | 7.5 | 7.45 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | HANGING DROP. MOTHER LIQUOR: 1 ML OF 0.1 M TRIS-HCL, PH 7.5, 20% (W/V) PEG 3350, 0.2 M TRIMETHYLAMINE N-OXIDE. DROP: 2 UL OF MOTHER LIQUOR PLUS 2 UL OF A 6.2 MG/ML PROTEIN SOLUTION IN 20 MM TRIS-HCL, 150 MM NACL, PH 7.5. CRYSTALS AFTER 2 WEEKS. CRYOPROTECTING SOLUTION: 0.1 M TRIS-HCL, PH 7.5, 20% (W/V) PEG 3350, 0.2 M TRIMETHYLAMINE N-OXIDE, 20% (V/V) ETHYLENE GLYCOL |