3LMF
Crystal Structure of Nmul_A1745 protein from Nitrosospira multiformis, Northeast Structural Genomics Consortium Target NmR72
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-01-20 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97912 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 94.417, 94.417, 72.688 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.800 - 2.300 |
R-factor | 0.21 |
Rwork | 0.209 |
R-free | 0.24700 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 0.900 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SHELX (then SOLVE/RESOLVE) |
Refinement software | CNS (1.2 &XtalView) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.690 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.137 | 0.544 |
Number of reflections | 11150 | |
<I/σ(I)> | 28 | 10.5 |
Completeness [%] | 99.9 | 100 |
Redundancy | 21.6 | 23.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Microbatch, under oil | 8 | 277 | Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5), Reservoir solution: 0.1M Tris (pH 8), 12% PEG 20K, and 0.1M KH2PO4, Microbatch, under oil, temperature 277K |