2IQA

PFA2 FAB fragment, monoclinic apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Detector technology	CCD
Collection date	2005-12-11
Detector	ADSC QUANTUM 315
Wavelength(s)	0.90020
Spacegroup name	P 1 21 1
Unit cell lengths	77.984, 73.412, 93.508
Unit cell angles	90.00, 99.97, 90.00

Refinement procedure

Resolution	33.450 - 2.000
R-factor	0.232
Rwork	0.230
R-free	0.27900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2iq9
RMSD bond length	0.011
RMSD bond angle	1.406
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.450	2.070
High resolution limit [Å]	2.000	2.000
Number of reflections	70368
<I/σ(I)>	22.3	3.26
Completeness [%]	99.7	99.4
Redundancy	5.6	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5		0.1 M Bis-Tris, 28% PEG-MME 2000, pH 6.5, VAPOR DIFFUSION
1	VAPOR DIFFUSION	6.5		0.1 M Bis-Tris, 28% PEG-MME 2000, pH 6.5, VAPOR DIFFUSION
1	VAPOR DIFFUSION	6.5		0.1 M Bis-Tris, 28% PEG-MME 2000, pH 6.5, VAPOR DIFFUSION