1RTT
Crystal structure determination of a putative NADH-dependent reductase using sulfur anomalous signal
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-11-01 |
Detector | BRANDEIS - B4 |
Wavelength(s) | 1.70 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 66.071, 70.386, 85.382 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.040 - 1.280 |
R-factor | 0.211 |
Rwork | 0.211 |
R-free | 0.22800 |
Structure solution method | SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 1.400 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 33.040 |
High resolution limit [Å] | 1.280 |
Rmerge | 0.036 |
Number of reflections | 44069 |
<I/σ(I)> | 21.2 |
Completeness [%] | 85.3 |
Redundancy | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | Calcium acetate, Sodium Cacodylate, PEG 8000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | Calcium acetate, Sodium Cacodylate, PEG 8000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | Calcium acetate, Sodium Cacodylate, PEG 8000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |