4KMH
Crystal structure of Suppressor of Fused d20
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 | 2012-05-25 |
Wavelength(s) | 1.000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 73.634, 122.329, 118.751 |
Unit cell angles | 90.00, 90.41, 90.00 |
Refinement procedure
Resolution | 50.000 - 3.040 |
R-factor | 0.2266 |
Rwork | 0.224 |
R-free | 0.27700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4km8 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.974 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 118.750 | 50.000 | 3.210 |
High resolution limit [Å] | 3.040 | 6.670 | 3.100 |
Rmerge | 0.128 | 0.111 | 0.489 |
Number of reflections | 19786 | ||
<I/σ(I)> | 13.2 | ||
Completeness [%] | 99.4 | 97.9 | 99.8 |
Redundancy | 5.6 | 5.4 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 287 | 16% PEG 3350, 0.1M Ammonium Tartrate, vapor diffusion, hanging drop, temperature 287K |