3CC8
Crystal structure of a putative methyltransferase (bce_1332) from bacillus cereus atcc 10987 at 1.64 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 | 2008-01-13 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837, 0.97964, 0.97978 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 91.223, 54.399, 52.751 |
Unit cell angles | 90.00, 109.50, 90.00 |
Refinement procedure
Resolution | 28.194 - 1.640 |
R-factor | 0.167 |
Rwork | 0.165 |
R-free | 0.20000 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.561 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SOLVE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.194 | 28.194 | 1.680 |
High resolution limit [Å] | 1.640 | 7.330 | 1.640 |
Rmerge | 0.072 | 0.051 | 0.792 |
Total number of observations | 1187 | 8153 | |
Number of reflections | 29308 | ||
<I/σ(I)> | 6.5 | 11.9 | 0.9 |
Completeness [%] | 98.1 | 95.5 | 96.8 |
Redundancy | 3.9 | 3.5 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | NANODROP, 40.0% MPD, 5.0% PEG 8000, 0.1M Cacodylate pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |