4FI4
Crystal structure of mannonate dehydratase PRK15072 (TARGET EFI-502214) from Caulobacter sp. K31
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-09 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 137.617, 137.617, 264.696 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.740 - 2.000 |
R-factor | 0.15133 |
Rwork | 0.149 |
R-free | 0.20379 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vcn |
RMSD bond length | 0.007 |
RMSD bond angle | 1.222 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0025) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.980 | |
Number of reflections | 85719 | |
<I/σ(I)> | 7.5 | 2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.5 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 0.16M MAGNESIUM CHLORIDE, 0.08M TRIS HCL, PH 8.5, 24% PEG4K, 20% (VOL/VOL) GLYCEROL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |