6XK0
Albumin-dexamethasone complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-06 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.979 |
Spacegroup name | P 61 |
Unit cell lengths | 94.983, 94.983, 143.591 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.540 - 2.400 |
R-factor | 0.2054 |
Rwork | 0.203 |
R-free | 0.24920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3v08 |
RMSD bond length | 0.002 |
RMSD bond angle | 1.127 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.440 |
High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
Rmerge | 0.110 | 0.054 | 1.053 |
Rmeas | 0.123 | 0.060 | 1.221 |
Rpim | 0.055 | 0.027 | 0.605 |
Number of reflections | 28870 | 1498 | 1412 |
<I/σ(I)> | 8.8 | ||
Completeness [%] | 99.8 | 99.8 | 98.3 |
Redundancy | 4.9 | 4.9 | 3.5 |
CC(1/2) | 0.983 | 0.619 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 289 | Prior to crystallization, 15 mg/ml protein was incubated with dexamethasone powder (10-fold molar excess) for 60 min at room temperature, and the mixture with the powder in suspension was used for crystallization. 1 ul of this mixture was mixed with 1 ul of the well condition (1.8 M ammonium dihydrogen citrate, pH 7.0) and equilibrated against the well solution in 15-Well hanging drop crystallization plate (Qiagen, EasyXtal). 1:1 mixture of Paratone N and mineral oil was used as a cryoprotectant |