2QQC
E109Q mutant of Pyruvoyl-dependent Arginine Decarboxylase from Methanococcus jannashii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-06-28 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9760 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.108, 92.810, 85.707 |
Unit cell angles | 90.00, 95.11, 90.00 |
Refinement procedure
Resolution | 44.030 - 2.000 |
R-factor | 0.194 |
Rwork | 0.194 |
R-free | 0.23700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1n13 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.130 | 2.130 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.050 | |
Number of reflections | 59694 | |
<I/σ(I)> | 20.9 | |
Completeness [%] | 97.5 | 97.8 |
Redundancy | 3.8 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 292 | 17-20% PEG 2000, 10% MPD, 2.5% glycerol, 0.1 M HEPES, 0.005 M beta-octylglucoside, 0.005 M EDTA, 0.010 M DTT, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K |