3K1M
Crystal Structure of full-length BenM, R156H mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-04-12 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97934 |
Spacegroup name | P 2 2 21 |
Unit cell lengths | 69.997, 70.789, 186.275 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.770 - 2.290 |
R-factor | 0.148 |
Rwork | 0.147 |
R-free | 0.17900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2f97 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.037 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 2.340 |
High resolution limit [Å] | 2.290 | 2.290 |
Rmerge | 0.071 | 0.507 |
Number of reflections | 41907 | |
<I/σ(I)> | 13.7 | 3.81 |
Completeness [%] | 99.6 | 100 |
Redundancy | 5.6 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH UNDER OIL | 295 | 5mcL precipitant and 4 mcL protein solution. Precipitant: 80% Crystal Screen 2 (CS-2, Hampton Research) condition 31, 20% CS-2 condition 26 Protein: 30 mM Tris, 0.5 M NaCl, 10% glycerol, 250 mM imidazole, 10 mM mercaptolethanol, pH 9.0, MICROBATCH UNDER OIL, temperature 295K |