3O0A
Crystal structure of the wild type CP1 hydrolitic domain from Aquifex Aeolicus leucyl-trna
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-03-11 |
Detector | MAR CCD 165 mm |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.689, 98.180, 116.667 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.150 - 1.770 |
R-factor | 0.191 |
Rwork | 0.188 |
R-free | 0.22500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1h3n |
RMSD bond length | 0.009 |
RMSD bond angle | 1.195 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.150 | 1.820 |
High resolution limit [Å] | 1.770 | 1.770 |
Rmerge | 0.030 | 0.084 |
Number of reflections | 43042 | |
Completeness [%] | 97.3 | 98.5 |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 2.1 M AMMONIUM SULFATE, 100 MM TRIS -HCL PH 8.5, 10 MM POTASSIUM CHLORIDE, 1 MM CALCIUM CHLORIDE, 1% PEG 400 FOR 30S, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 297K, PH 8.50 |