4K8G
Crystal structure of D-Mannonate dehydratase from Novosphingobium aromaticivorans mutant (V161A, R163A, K165G, L166A, Y167G, Y168A, E169G)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-01-01 |
Detector | RAYONIX MX-325 |
Wavelength(s) | 0.97857 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 125.770, 125.770, 119.740 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.900 - 1.250 |
R-factor | 0.1413 |
Rwork | 0.141 |
R-free | 0.14820 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.138 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.900 | 29.900 | 1.280 |
High resolution limit [Å] | 1.250 | 5.590 | 1.250 |
Rmerge | 0.093 | 0.044 | 0.766 |
Number of reflections | 131204 | 1624 | 9612 |
<I/σ(I)> | 18.84 | 45.48 | 3.84 |
Completeness [%] | 100.0 | 99 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | Mother liqueur contained 28% PEG 400, 100 mM HEPES, NaOH, 200 mM Calcium chloride. Protein solution was at 20 mg/mL, 100 mM NaCl, 50 mM Tris, pH 7.5, vapor diffusion, sitting drop, temperature 277K |