3HJ2
Crystal structure of covalent dimer of HNP1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-08-10 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 47.070, 49.370, 24.990 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.400 |
R-factor | 0.20059 |
Rwork | 0.199 |
R-free | 0.23578 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dfn |
RMSD bond length | 0.020 |
RMSD bond angle | 1.857 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.4.0057) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.680 | 1.450 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.065 | 0.114 |
Number of reflections | 11611 | |
<I/σ(I)> | 22.5 | 17.8 |
Completeness [%] | 96.3 | 100 |
Redundancy | 6.2 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 0.1 M Na-citrate (pH 5.6), 0.2 M NH4-acetate, 30% (v/v) MPD, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |