2R0Z

PFA1 FAB complexed with GripI peptide fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Detector technology	IMAGE PLATE
Collection date	2006-07-28
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54178
Spacegroup name	P 1 21 1
Unit cell lengths	41.467, 112.243, 43.174
Unit cell angles	90.00, 93.43, 90.00

Refinement procedure

Resolution	33.310 - 2.096
R-factor	0.204
Rwork	0.201
R-free	0.26100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.169
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.180
High resolution limit [Å]	2.096	4.520	2.096
Rmerge	0.162	0.106	0.223
Number of reflections	20023
<I/σ(I)>	9.5
Completeness [%]	87.6	99.4	65.6
Redundancy	4.6	5.9	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		295	PEG, VAPOR DIFFUSION, temperature 295K
1	VAPOR DIFFUSION		295	PEG, VAPOR DIFFUSION, temperature 295K