1RZM
Crystal structure of 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase (DAHPS) from Thermotoga maritima complexed with Cd2+, PEP and E4P
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 200 |
Detector technology | CCD |
Collection date | 2002-06-10 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.2831 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 71.581, 144.215, 141.057 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.200 |
Rwork | 0.219 |
R-free | 0.25100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fww |
RMSD bond length | 0.006 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.063 | 0.463 |
Number of reflections | 37384 | |
<I/σ(I)> | 24.1 | 3.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.7 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | PEG 8000, LiCl, bis-tris propane, CdCl2, PEP, E4P, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |