3K2K
Crystal structure of putative carboxypeptidase (YP_103406.1) from BURKHOLDERIA MALLEI ATCC 23344 at 2.49 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-05-07 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 162.375, 162.375, 148.397 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.553 - 2.490 |
R-factor | 0.157 |
Rwork | 0.156 |
R-free | 0.18500 |
Structure solution method | SAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.563 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0053) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.553 | 29.553 | 2.580 |
High resolution limit [Å] | 2.490 | 5.330 | 2.490 |
Rmerge | 0.076 | 0.035 | 0.780 |
Number of reflections | 34624 | 6757 | 6209 |
<I/σ(I)> | 15.45 | 35.6 | 2.1 |
Completeness [%] | 99.1 | 99.4 | 92 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 4.3000M NaCl, 0.1M HEPES pH 7.5, Additive: 0.006 M calcium chloride, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |