2RIL
Crystal structure of a putative monooxygenase (YP_001095275.1) from Shewanella loihica PV-4 at 1.26 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-10-04 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9537, 0.9797, 0.9795 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 48.931, 63.155, 27.283 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.528 - 1.260 |
R-factor | 0.141 |
Rwork | 0.140 |
R-free | 0.16200 |
Structure solution method | MAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.599 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SHELX |
Refinement software | REFMAC (5.3.0040) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 26.528 | 26.528 | 1.290 |
High resolution limit [Å] | 1.260 | 5.630 | 1.260 |
Rmerge | 0.059 | 0.053 | 1.314 |
Total number of observations | 898 | 53 | |
Number of reflections | 14880 | ||
<I/σ(I)> | 6.5 | 9.3 | 0.7 |
Completeness [%] | 63.3 | 82.2 | 3.1 |
Redundancy | 3.2 | 3.5 | 1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 277 | NANODROP, 40.0% 1,2-propanediol, 0.1M Acetate pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |