6TV3
HumRadA1 in complex with 3-amino-2-naphthoic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-03-08 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979500 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 37.666, 79.237, 39.430 |
Unit cell angles | 90.00, 118.18, 90.00 |
Refinement procedure
Resolution | 21.030 - 1.500 |
R-factor | 0.185 |
Rwork | 0.183 |
R-free | 0.21700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4b32 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.120 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 21.030 | 21.030 | 1.590 |
High resolution limit [Å] | 1.500 | 4.460 | 1.500 |
Rmerge | 0.049 | 0.029 | 0.450 |
Rmeas | 0.061 | 0.041 | 0.539 |
Total number of observations | 116392 | ||
Number of reflections | 31934 | 2183 | 8812 |
<I/σ(I)> | 15.9 | 25.62 | 2.9 |
Completeness [%] | 97.4 | 88.5 | 96.4 |
Redundancy | 3.7 | 1.954 | 3.6 |
CC(1/2) | 0.999 | 0.996 | 0.870 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 293 | 8% PEG-1000, 100 MM NA/K PHOSPHATE |