7G0B
Crystal Structure of human FABP5 in complex with 7-bromo-1-methyl-5-phenyl-2,3,4,5-tetrahydro-1-benzazepine-4-carboxylic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2010-12-21 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.800000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 62.328, 62.328, 74.650 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.840 - 1.470 |
R-factor | 0.1931 |
Rwork | 0.192 |
R-free | 0.21920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.023 |
RMSD bond angle | 2.066 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0093) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.840 | 47.840 | 1.510 |
High resolution limit [Å] | 1.470 | 6.570 | 1.470 |
Rmerge | 0.050 | 0.027 | 2.335 |
Rmeas | 0.052 | 0.028 | 2.428 |
Total number of observations | 326562 | ||
Number of reflections | 25705 | 360 | 1838 |
<I/σ(I)> | 23.7 | 62.84 | 1.17 |
Completeness [%] | 99.9 | 98.4 | 100 |
Redundancy | 12.704 | 9.433 | 13.383 |
CC(1/2) | 1.000 | 1.000 | 0.478 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | protein in 25mM Tris/HCl pH 7.5 100mM NaCl, see also PMID 27658368 |