7NTR
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND SUBSTRATE MIMIC 3-PHENYLPROPIONATE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-09-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.8726 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.844, 103.795, 110.158 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.510 - 2.230 |
R-factor | 0.1735 |
Rwork | 0.170 |
R-free | 0.24110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2abj |
RMSD bond length | 0.014 |
RMSD bond angle | 1.683 |
Data reduction software | XDS (MARCH 30, 2013) |
Data scaling software | XSCALE (July 4, 2012) |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.500 | 2.340 |
High resolution limit [Å] | 2.210 | 2.210 |
Rmeas | 0.144 | 0.910 |
Number of reflections | 39094 | 5999 |
<I/σ(I)> | 9.86 | 1.89 |
Completeness [%] | 99.3 | 96.1 |
Redundancy | 5.1 | 5.1 |
CC(1/2) | 0.996 | 0.719 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | PROTEIN AT 17 MG/ML IN 10 MILLIMOLAR TRIS-HCL PH 8.0, 100 MILLIMOLAR NACL, 3 MILLIMOLAR DTT. PREINCUBATED OVER NIGHT WITH 10 MILLIMOLAR 3-PHENYL-PROPIONATE AND 3 MILLIMOLAR DTT. DROPS MADE FROM 1 MICROLITER PROTEIN AND 1 MICROLITER RESERVOIR (225 MILLIMOLAR MGCL2, 16-20 % (W/V) PEG 3350. CRYO: RESERVOIR SOLUTION COMPLEMENTED WITH 20 % (V/V) GLYCEROL |