3CL6
Crystal structure of Puue Allantoinase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-11-11 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97 |
Spacegroup name | P 4 |
Unit cell lengths | 98.299, 98.299, 62.393 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 9.980 - 1.580 |
R-factor | 0.20896 |
Rwork | 0.208 |
R-free | 0.23248 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1z7a |
RMSD bond length | 0.009 |
RMSD bond angle | 1.162 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASES |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.710 | 1.670 |
High resolution limit [Å] | 1.580 | 1.580 |
Rmerge | 0.072 | 0.441 |
Number of reflections | 81449 | |
<I/σ(I)> | 8.4 | 1.7 |
Completeness [%] | 99.8 | 100 |
Redundancy | 3.9 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 298 | 0.2M (NH4)2SO4, 0.1M NaCacodylate, pH 6.5, 30% PEG 8000, VAPOR DIFFUSION, temperature 298K |