7SJ6
T4 Lysozyme L99A/M102H with 1,2-Azaborine bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-29 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.115830 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.780, 75.840, 52.820 |
Unit cell angles | 90.00, 93.22, 90.00 |
Refinement procedure
Resolution | 52.740 - 1.720 |
R-factor | 0.1703 |
Rwork | 0.169 |
R-free | 0.20150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 181l |
RMSD bond length | 0.004 |
RMSD bond angle | 0.593 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.740 | 1.783 |
High resolution limit [Å] | 1.720 | 1.721 |
Rmeas | 0.064 | 0.644 |
Number of reflections | 34602 | 1518 |
<I/σ(I)> | 14.5 | 1.34 |
Completeness [%] | 84.9 | 37.76 |
Redundancy | 3.05 | 1.86 |
CC(1/2) | 0.998 | 0.666 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | Crystals were grown from a 5 mg/ml solution of the protein by the hanging drop method at 4 oC over a well solution of 0.1 M sodium acetate, pH 4.5, 30% (w/v) PEG-6000, 0.3 M LiSO4, 3 % trimethylamine N-oxide, 50 mM 2-mercaptoethanol, 50 mM 2-hydroxyethyl disulfide. |