7NZJ

Structure of bsTrmB apo

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-27
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9763
Spacegroup name	P 1
Unit cell lengths	42.620, 103.680, 103.690
Unit cell angles	118.12, 97.91, 97.84

Refinement procedure

Resolution	44.530 - 1.980
R-factor	0.1893
Rwork	0.187
R-free	0.22270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fca
RMSD bond length	0.008
RMSD bond angle	1.321
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.530	2.000
High resolution limit [Å]	1.980	1.980
Rmerge	0.072	1.344
Rmeas	0.083	1.557
Total number of observations	372163
Number of reflections	96395	2799
<I/σ(I)>	12.47	1.08
Completeness [%]	91.5	89.9
Redundancy	3.861	3.896
CC(1/2)	0.998	0.548

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	0.2M NaCl, 0.1M MES, 15% v/v 5/4PO/OH,