6ZTD

Crystal structure of the BCR Fab fragment from subset #169 case P6540

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-17
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966
Spacegroup name	P 41
Unit cell lengths	70.536, 70.536, 106.472
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.880 - 3.430
R-factor	0.2212
Rwork	0.217
R-free	0.26320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ifh
RMSD bond length	0.002
RMSD bond angle	0.527
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.880	3.710
High resolution limit [Å]	3.430	3.430
Rpim	0.029	0.240
Number of reflections	6990	1435
<I/σ(I)>	15.2
Completeness [%]	99.5	100
Redundancy	5.8
CC(1/2)	0.999	0.879

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Na Malate pH 7 26 % PEG 4000