5BMT
Crystal structure of an uncharacterized protein (PARMER_03598) from Parabacteroides merdae ATCC 43184 at 1.50 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-12-04 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97951 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.750, 58.969, 165.462 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.212 - 1.500 |
R-factor | 0.1671 |
Rwork | 0.166 |
R-free | 0.18610 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.060 |
Data reduction software | XDS |
Data scaling software | XSCALE (November 3, 2014 BUILT=20141118) |
Phasing software | SHELX |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.212 | 29.212 | 1.550 |
High resolution limit [Å] | 1.500 | 3.230 | 1.500 |
Rmerge | 0.059 | 0.034 | 0.800 |
Rmeas | 0.069 | 0.040 | 0.936 |
Total number of observations | 662500 | ||
Number of reflections | 91355 | 17463 | 16232 |
<I/σ(I)> | 12.12 | 30.1 | 1.8 |
Completeness [%] | 99.8 | 99.5 | 99.3 |
Redundancy | 3.796 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 10.5 | 277 | 0.2M lithium sulfate, 2.0M ammonium sulfate, 0.1M CAPS pH 10.5 |