3ODP
Crystal structure of a putative tagatose-6-phosphate ketose/aldose isomerase (NT01CX_0292) from CLOSTRIDIUM NOVYI NT at 2.35 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-08-06 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 89.364, 89.364, 120.012 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 77.391 - 2.350 |
R-factor | 0.2297 |
Rwork | 0.228 |
R-free | 0.26400 |
Structure solution method | SAD + MOLECULAR REPLACEMENT |
Starting model (for MR) | 3i0z |
RMSD bond length | 0.010 |
RMSD bond angle | 1.175 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.15) |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 77.391 | 77.391 | 2.480 |
High resolution limit [Å] | 2.350 | 7.430 | 2.350 |
Rmerge | 0.010 | 0.010 | |
Total number of observations | 5463 | 25346 | |
Number of reflections | 23656 | ||
<I/σ(I)> | 12.7 | 14.4 | 0.7 |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 7.4 | 6.5 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 50.00% PEG-200, 0.1M TRIS pH 7.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |