3TFZ
Crystal structure of Zhui aromatase/cyclase from Streptomcyes sp. R1128
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-03-08 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.016, 135.731, 175.496 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.390 |
R-factor | 0.196 |
Rwork | 0.193 |
R-free | 0.26100 |
Structure solution method | MAD |
RMSD bond length | 0.028 |
RMSD bond angle | 2.518 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.490 |
High resolution limit [Å] | 2.390 | 2.390 |
Number of reflections | 48090 | |
<I/σ(I)> | 16.4 | 3.7 |
Completeness [%] | 99.8 | 99 |
Redundancy | 7 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 298 | 1.1M NAH2PO4/0.7M K2PO4, 0.1M CAPS PH 10.5, 0.2M LI2SO4, 0.1M NACITRATE, 0.1M GUANIDINE HCL, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 298 | 1.1M NAH2PO4/0.7M K2PO4, 0.1M CAPS PH 10.5, 0.2M LI2SO4, 0.1M NACITRATE, 0.1M GUANIDINE HCL, VAPOR DIFFUSION, HANGING DROP, temperature 298K |