5CVD
Crystal structure of human NRMT1 in complex with alpha-N-dimethylated human CENP-A peptide
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 | 2014-11-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97914 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 114.839, 66.245, 68.998 |
Unit cell angles | 90.00, 106.69, 90.00 |
Refinement procedure
Resolution | 29.612 - 1.300 |
R-factor | 0.1331 |
Rwork | 0.132 |
R-free | 0.16000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ex4 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.155 |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.320 |
High resolution limit [Å] | 1.300 | 3.530 | 1.300 |
Rmerge | 0.108 | 0.068 | 0.631 |
Rmeas | 0.122 | 0.077 | 0.711 |
Rpim | 0.055 | 0.035 | 0.326 |
Total number of observations | 558514 | ||
Number of reflections | 119380 | ||
<I/σ(I)> | 8.6 | ||
Completeness [%] | 98.3 | 99.1 | 96.7 |
Redundancy | 4.7 | 4.7 | 4.6 |
CC(1/2) | 0.992 | 0.788 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 291 | 0.2 M (NH4)Ac, 0.1 M Sodium citrate tribasic dihydrate, 28%(w/v) PEG 4000 |