1Z2L
Crystal structure of Allantoate-amidohydrolase from E.coli K12 in complex with substrate Allantoate
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-02-02 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9877, 0.9792, 0.94 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 95.532, 186.579, 49.218 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.220 - 2.250 |
R-factor | 0.229 |
Rwork | 0.229 |
R-free | 0.27300 |
Structure solution method | MAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.400 |
Data reduction software | MARMAD |
Data scaling software | HKL-2000 |
Phasing software | SHELXD |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.330 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.066 | 0.430 |
Number of reflections | 41530 | |
<I/σ(I)> | 21.2 | |
Completeness [%] | 97.2 | 96.1 |
Redundancy | 15.5 | 13 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.5 | 298 | Peg 3350, Tris, Magnesium chloride, pH 8.5, VAPOR DIFFUSION, temperature 298K |
1 | VAPOR DIFFUSION | 8.5 | 298 | Peg 3350, Tris, Magnesium chloride, pH 8.5, VAPOR DIFFUSION, temperature 298K |
1 | VAPOR DIFFUSION | 8.5 | 298 | Peg 3350, Tris, Magnesium chloride, pH 8.5, VAPOR DIFFUSION, temperature 298K |