3VZ2
Structural insights into substrate and cofactor selection by sp2771
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-06-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.075 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.928, 116.963, 180.604 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.120 - 2.500 |
R-factor | 0.18002 |
Rwork | 0.177 |
R-free | 0.23658 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3jz4 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.617 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 32970 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 14.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 293 | PEG 5000 MME, Tascimate, HEPES, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |