5FBE

COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-10
Detector	MARRESEARCH
Wavelength(s)	0.9999
Spacegroup name	P 1 21 1
Unit cell lengths	55.400, 50.000, 39.358
Unit cell angles	90.00, 105.75, 90.00

Refinement procedure

Resolution	16.100 - 1.430
R-factor	0.1697
Rwork	0.169
R-free	0.18790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bio
RMSD bond length	0.010
RMSD bond angle	1.110
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	BUSTER (2.11.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	16.100	1.470
High resolution limit [Å]	1.430	1.430
Rmerge	0.055	0.390
Number of reflections	38106
<I/σ(I)>	12.4	3.6
Completeness [%]	99.2	95
Redundancy	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1 MICROLITER PROTEIN SOLUTION WAS MIXED WITH 1 MICROLITER RESERVOIR SOLUTION. PROTEIN SOLUTION: 18 mg/mL FD, 10 mM Tris pH 7.0, 100 mM NaCl; RESERVOIR SOLUTION: 22% PEG3350, 100 mM HEPES pH 7.5; SOAKING AND CRYO: ADDITION of 10 mM COMPOUND2 for 45 min FOLLOWED by the ADDITION OF 0.5 MICROLITER GLYCEROL AND FLASH FREEZING IN LIQUIT NITROGEN.