4RRP

Crystal Structure of the Fab complexed with antigen Asf1p, Northeast Structural Genomics Consortium (NESG) Target PdR16

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X3A
Synchrotron site	NSLS
Beamline	X3A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-17
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	92.725, 181.309, 259.286
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.690 - 2.790
R-factor	0.185
Rwork	0.183
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qgc
RMSD bond length	0.009
RMSD bond angle	1.219
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	BALBES
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.800
Rmerge	0.086
Completeness [%]	99.7
Redundancy	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5	291	Protein solution 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5), Reservoir solution ammonium acetate 0.1M, BIS-TRIS 0.1M, PEG 10,000 17%(w/v), microbatch under oil, temperature 291K