1TZM
Crystal structure of ACC deaminase complexed with substrate analog b-chloro-D-alanine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-04-17 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97830 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.640, 68.263, 349.748 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.860 - 2.080 |
R-factor | 0.226 |
Rwork | 0.226 |
R-free | 0.26800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tyz |
RMSD bond length | 0.011 |
RMSD bond angle | 1.600 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 96359 | |
<I/σ(I)> | 14.8 | 2.9 |
Completeness [%] | 99.0 | 99.9 |
Redundancy | 6.6 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | ISOPROPANOL, PEG 4000, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |