5CVE
Crystal Structure of human NRMT1 in complex with dimethylated fly H2B peptide and SAH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-06-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97914 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 114.836, 66.302, 68.730 |
Unit cell angles | 90.00, 106.44, 90.00 |
Refinement procedure
Resolution | 32.118 - 1.500 |
R-factor | 0.1534 |
Rwork | 0.153 |
R-free | 0.17950 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.050 |
Data reduction software | SCALA |
Data scaling software | HKL-2000 |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.530 |
High resolution limit [Å] | 1.500 | 4.070 | 1.500 |
Rmerge | 0.097 | 0.050 | 0.817 |
Rmeas | 0.105 | 0.054 | 0.879 |
Rpim | 0.039 | 0.020 | 0.323 |
Total number of observations | 577246 | ||
Number of reflections | 78798 | ||
<I/σ(I)> | 7.8 | ||
Completeness [%] | 99.2 | 99.5 | 98 |
Redundancy | 7.3 | 7.3 | 7.3 |
CC(1/2) | 0.998 | 0.846 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.7 | 291 | 0.2 M (NH4)Ac, 0.1 M Sodium citrate tribasic dihydrate, 24%(w/v) PEG 4000 |