3QC0
Crystal structure of a sugar isomerase (SMc04130) from SINORHIZOBIUM MELILOTI 1021 at 1.45 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-03-12 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97929,0.97915 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 70.796, 70.796, 264.721 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.865 - 1.450 |
R-factor | 0.1607 |
Rwork | 0.159 |
R-free | 0.18460 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.835 |
Data reduction software | MOSFLM |
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] | 29.865 | 29.865 | 1.490 |
High resolution limit [Å] | 1.450 | 6.480 | 1.450 |
Rmerge | 0.075 | 0.045 | 0.692 |
Total number of observations | 4592 | 29803 | |
Number of reflections | 70842 | ||
<I/σ(I)> | 11.2 | 12.1 | 2.3 |
Completeness [%] | 100.0 | 98.7 | 99.8 |
Redundancy | 5.8 | 4.7 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 50.0% PEG-200, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |