2HBW
Crystal structure of a putative endopeptidase (ava_3396) from anabaena variabilis atcc 29413 at 1.05 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-02-13 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979008, 0.918370, 0.979291 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 76.480, 86.891, 37.288 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.007 - 1.050 |
R-factor | 0.126 |
Rwork | 0.125 |
R-free | 0.14900 |
Structure solution method | MAD |
RMSD bond length | 0.020 |
RMSD bond angle | 1.936 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.007 | 1.090 | |
High resolution limit [Å] | 1.050 | 1.800 | 1.050 |
Rmerge | 0.075 | 0.073 | 0.679 |
Number of reflections | 116587 | ||
<I/σ(I)> | 10.83 | 22.7 | 2.3 |
Completeness [%] | 96.7 | 99.8 | 90.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP, NANODROP | 4.5 | 277 | 20.0% 1,4-butanediol, 0.1M Acetate, pH 4.5, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K |