3C1A
Crystal structure of a putative oxidoreductase (ZP_00056571.1) from Magnetospirillum magnetotacticum MS-1 at 1.85 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-10-26 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.91840, 0.97953, 0.97939 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 94.658, 86.361, 87.907 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.988 - 1.850 |
R-factor | 0.216 |
Rwork | 0.214 |
R-free | 0.25600 |
Structure solution method | MAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.503 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.988 | 29.988 | 1.900 |
High resolution limit [Å] | 1.850 | 8.270 | 1.850 |
Rmerge | 0.145 | 0.054 | 0.885 |
Total number of observations | 2516 | 15846 | |
Number of reflections | 61976 | ||
<I/σ(I)> | 7.7 | 23.4 | 2 |
Completeness [%] | 99.7 | 97.6 | 98.5 |
Redundancy | 3.6 | 3.2 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | NANODROP, 19.6% PEG 3350, 0.15M Di-ammonium tartrate, VAPOR DIFFUSION, SITTING DROP, temperature 277K |