3A2Y
E. coli Gsp amidase C59A complexed with Gsp
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13C1 |
Synchrotron site | NSRRC |
Beamline | BL13C1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-03-29 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.97315 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 83.962, 83.962, 104.937 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 1.950 |
Rwork | 0.206 |
R-free | 0.22970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2iob |
RMSD bond length | 0.006 |
RMSD bond angle | 1.257 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.056 | 0.700 |
Total number of observations | 222956 | |
Number of reflections | 16593 | |
<I/σ(I)> | 61.9 | 3.9 |
Completeness [%] | 99.8 | 100 |
Redundancy | 13.4 | 13.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 4.5 | 298 | 0.1M acetate, 0.8M NaH2PO4, 1.2M K2HPO4, 0.1M imidazole, pH 4.5, VAPOR DIFFUSION, temperature 298K |