2X76
The crystal structure of PhaZ7 at atomic (1.2 Angstrom) resolution reveals details of the active site and suggests a substrate binding mode
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-03-20 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 49.630, 140.580, 56.750 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.450 |
R-free | 0.17800 |
Structure solution method | DIRECT METHODS |
Starting model (for MR) | 2x5x |
RMSD bond length | 0.011 |
RMSD bond angle | 0.027 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | SHELXL-97 |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.490 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.100 | 0.430 |
Number of reflections | 71446 | |
<I/σ(I)> | 13.1 | 4.1 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 5.9 | 5.95 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 289 | PHAZ7 WAS CRYSTALLIZED USING THE HANGING DROP VAPOR DIFFUSION METHOD AT 16 C. THE WELL SOLUTION CONSISTED OF 20% W/V PEG3350 AND 0.2 M NA IODIDE. A 1.5 MICROLITRES PROTEIN SOLUTION WAS MIXED WITH AN EQUAL VOLUME OF WELL SOLUTION ON SILICONIZED COVERSLIPS. |