2DPM
DPNM DNA ADENINE METHYLTRANSFERASE FROM STREPTOCCOCUS PNEUMONIAE COMPLEXED WITH S-ADENOSYLMETHIONINE
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1996-05-15 |
Detector | MARRESEARCH |
Wavelength(s) | 1.008, 1.011, 0.997, 0.968 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.600, 68.100, 85.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.800 |
R-factor | 0.238 |
Rwork | 0.238 |
R-free | 0.28400 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASES |
Refinement software | X-PLOR (3.8) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.050 * | 0.220 * |
Total number of observations | 207177 * | |
Number of reflections | 30274 | 1979 * |
<I/σ(I)> | 33.4 | 8.7 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 4 * | FOR VAPOR DIFFUSION AT 4 C, HANGING DROPS CONTAINED 0.45 NM 0.9 NMOLS OF SAM, 100 MM HEPES BUFFER, PH 7.0, 250 MM NACL, 5% PEG 3350 IN 6 MICROLITERS. RESEVOIRS CONTAINED 1.0 ML OF 50.0 MM HEPES, 125 MM NACL, 2.5% PEG 3350., vapor diffusion - hanging drop |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 0.45 (nmol) | |
2 | 1 | drop | AdoMet | 0.9 (nmol) | |
3 | 1 | drop | HEPES | 100 (mM) | |
4 | 1 | drop | 250 (mM) | ||
5 | 1 | drop | PEG3350 | 5 (%(w/v)) | |
6 | 1 | reservoir | HEPES | 50 (mM) | |
7 | 1 | reservoir | 125 (mM) | ||
8 | 1 | reservoir | PEG3350 | 2.5 (%) |