6CR1

adalimumab EFab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2017-02-15
Detector	MAR CCD 165 mm
Wavelength(s)	0.9793
Spacegroup name	C 2 2 21
Unit cell lengths	125.413, 195.846, 48.779
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.898 - 1.521
R-factor	0.1539
Rwork	0.153
R-free	0.17870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nyl 2wqr
RMSD bond length	0.015
RMSD bond angle	1.427
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.540
High resolution limit [Å]	1.520	1.520
Rmerge	0.115
Number of reflections	96198
<I/σ(I)>	9.3
Completeness [%]	99.6
Redundancy	7.4
CC(1/2)		0.684

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	273	15% PEG 3350 and 0.25M potassium nitrate