3CU3
Crystal structure of a domain of unknown function with a cystatin-like fold (npun_r1993) from nostoc punctiforme pcc 73102 at 2.00 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-03-17 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837, 0.97905, 0.97929 |
Spacegroup name | I 21 21 21 |
Unit cell lengths | 50.510, 71.900, 117.560 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.386 - 2.000 |
R-factor | 0.164 |
Rwork | 0.161 |
R-free | 0.21600 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.556 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SOLVE |
Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.386 | 29.386 | 2.070 |
High resolution limit [Å] | 2.000 | 4.300 | 2.000 |
Rmerge | 0.087 | 0.034 | 0.380 |
Number of reflections | 14803 | 2763 | 2650 |
<I/σ(I)> | 7.97 | 19.8 | 2.26 |
Completeness [%] | 98.8 | 98.1 | 97.8 |
Redundancy | 3.61 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.47 | 277 | NANODROP, 0.2M Magnesium chloride, 36.0% PEG 400, 0.1M HEPES pH 7.47, VAPOR DIFFUSION, SITTING DROP, temperature 277K |