2Q8U
CRYSTAL STRUCTURE OF MRE11 FROM THERMOTOGA MARITIMA MSB8 (TM1635) AT 2.20 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 | 2007-05-13 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.98086 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.598, 113.414, 80.951 |
Unit cell angles | 90.00, 101.77, 90.00 |
Refinement procedure
Resolution | 37.450 - 2.200 |
R-factor | 0.2 |
Rwork | 0.198 |
R-free | 0.24100 |
Structure solution method | MAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.428 |
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] | 37.450 | 37.450 | 2.260 |
High resolution limit [Å] | 2.200 | 9.840 | 2.200 |
Rmerge | 0.043 | 0.023 | 0.533 |
Total number of observations | 1113 | 7983 | |
Number of reflections | 56132 | ||
<I/σ(I)> | 11.3 | 26.2 | 0.9 |
Completeness [%] | 98.8 | 84.7 | 99.5 |
Redundancy | 2.6 | 2.6 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.57 | 277 | NANODROP, 10.3% PEG 6000, 0.1M MES pH 5.57, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
2 | VAPOR DIFFUSION, SITTING DROP | 5.14 | 277 | NANODROP, 2.5% PEG 6000, 0.1M MES pH 5.14, VAPOR DIFFUSION, SITTING DROP, temperature 277K |