3L22
CRYSTAL STRUCTURE OF A SUSD SUPERFAMILY PROTEIN (BF_0597) FROM BACTEROIDES FRAGILIS AT 2.05 A RESOLUTION
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-1 |
Synchrotron site | SSRL |
Beamline | BL9-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-08-03 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.978930,0.979373,0.918370 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 94.034, 94.034, 201.581 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.412 - 2.050 |
R-factor | 0.148 |
Rwork | 0.146 |
R-free | 0.17100 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.600 |
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] | 29.412 | 29.412 | 2.120 |
High resolution limit [Å] | 2.050 | 4.400 | 2.050 |
Rmerge | 0.104 | 0.032 | 0.784 |
Number of reflections | 57591 | 10974 | 10104 |
<I/σ(I)> | 11.52 | 33.6 | 1.8 |
Completeness [%] | 99.5 | 99.4 | 97.2 |
Redundancy | 7.12 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.33 | 277 | 0.2000M zinc acetate, 22.5000% Ethanol, 0.1M MES pH 6.33, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |