3TDL
Structure of human serum albumin in complex with DAUDA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Detector technology | CCD |
Collection date | 2010-11-02 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.04 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 176.657, 37.137, 90.195 |
Unit cell angles | 90.00, 104.38, 90.00 |
Refinement procedure
Resolution | 35.500 - 2.600 |
R-factor | 0.251 |
Rwork | 0.251 |
R-free | 0.26100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bj5 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.800 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS (1.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.000 | 2.640 |
High resolution limit [Å] | 2.600 | 2.600 |
Number of reflections | 17658 | |
Completeness [%] | 99 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 293 | 28-32% (w/v) polyethylene glycol 3350, 50mM potassium phosphate (pH 7.5), VAPOR DIFFUSION, SITTING DROP, temperature 293K |