3KK7
Crystal structure of Putative cell invasion protein with MAC/Perforin domain (NP_812351.1) from BACTERIODES THETAIOTAOMICRON VPI-5482 at 2.46 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 | 2009-07-31 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97908,0.91837,0.97922 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.400, 127.200, 138.250 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.386 - 2.460 |
R-factor | 0.211 |
Rwork | 0.209 |
R-free | 0.25200 |
Structure solution method | MAD |
RMSD bond length | 0.014 |
RMSD bond angle | 1.465 |
Data reduction software | XDS |
Data scaling software | SCALA (3.2.25) |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0053) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.386 | 49.390 | 2.590 |
High resolution limit [Å] | 2.460 | 7.770 | 2.460 |
Rmerge | 0.123 | 0.036 | 0.752 |
Total number of observations | 11003 | 40706 | |
Number of reflections | 49779 | ||
<I/σ(I)> | 10.6 | 26.4 | 2.3 |
Completeness [%] | 97.3 | 99 | 94.2 |
Redundancy | 6.9 | 6.3 | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.7 | 277 | 5.0000% 2-methyl-2,4-pentanediol, 12.0000% polyethylene glycol 6000, 0.1M HEPES pH 6.7, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 277K |