3W5S
Crystal Structure of Maleylacetate Reductase from Rhizobium sp. strain MTP-10005
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-12-01 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 56.855, 121.150, 94.109 |
Unit cell angles | 90.00, 101.48, 90.00 |
Refinement procedure
Resolution | 29.740 - 1.490 |
R-factor | 0.155 |
Rwork | 0.154 |
R-free | 0.17985 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.343 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHARP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.540 |
High resolution limit [Å] | 1.490 | 1.490 |
Rmerge | 0.036 | 0.323 |
Number of reflections | 100798 | |
Completeness [%] | 99.4 | 95.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 1.4M ammonium sulfate, 0.1M sodium chloride, 2% (w/v) benzamidine-HCl, 0.1M Na HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 1.4M ammonium sulfate, 0.1M sodium chloride, 2% (w/v) benzamidine-HCl, 0.1M Na HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K |