5KMC
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) non-nucleotidic covalent intermediate complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2015-09-24 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 78.093, 46.151, 63.994 |
Unit cell angles | 90.00, 94.66, 90.00 |
Refinement procedure
Resolution | 39.697 - 1.350 |
R-factor | 0.1593 |
Rwork | 0.159 |
R-free | 0.17440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3tw2 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.019 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.9) |
Phasing software | PHASER (2.6.0) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.700 | 39.700 | 1.370 |
High resolution limit [Å] | 1.350 | 7.390 | 1.350 |
Rmerge | 0.044 | 0.019 | 0.384 |
Rmeas | 0.052 | ||
Rpim | 0.027 | ||
Total number of observations | 173639 | ||
Number of reflections | 47786 | ||
<I/σ(I)> | 19.2 | ||
Completeness [%] | 95.9 | 93.9 | 91 |
Redundancy | 3.6 | 3.4 | 3.4 |
CC(1/2) | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 293 | 100 mM MES, 39% PEG 8000, |