4N0J
Crystal structure of dimethyllysine hen egg-white lysozyme in complex with sclx4 at 1.9 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 198.8 |
Detector technology | CCD |
Collection date | 2012-12-06 |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.850, 30.200, 94.210 |
Unit cell angles | 90.00, 96.31, 90.00 |
Refinement procedure
Resolution | 31.200 - 1.900 |
R-factor | 0.17 |
Rwork | 0.168 |
R-free | 0.21000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4IPQ |
RMSD bond length | 0.008 |
RMSD bond angle | 1.194 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.220 | 1.700 |
High resolution limit [Å] | 1.674 | 1.670 |
Rmerge | 0.116 | 1.026 |
Number of reflections | 27755 | |
<I/σ(I)> | 6.8 | 1.1 |
Completeness [%] | 92.0 | 86.4 |
Redundancy | 3.5 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.1 | 293.15 | 6 % PEG 8000, 100 mM, MAGNESIUM CHLORIDE, 50 mM SODIUM CHLORIDE, 100 mM SODIUM CACODYLATE, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K |