3FFQ

HCN2I 443-640 apo-state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X26C
Synchrotron site	NSLS
Beamline	X26C
Temperature [K]	110
Detector technology	CCD
Collection date	2003-06-19
Detector	ADSC QUANTUM 4
Wavelength(s)	0.92
Spacegroup name	I 4
Unit cell lengths	95.285, 95.285, 123.555
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.24517
Rwork	0.243
R-free	0.28292
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q43
RMSD bond length	0.002
RMSD bond angle	0.898
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.160	2.160
Rmerge	0.075
Number of reflections	21512
<I/σ(I)>	23.3	2.7
Completeness [%]	99.9	99.8
Redundancy	3	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	Two uL protein (5-7 mg/mL) mixed with one uL reservoir solution composed of 0.4 M NaCl, 0.1 NaBr, 0.1 M MES, pH 6.0, 20% glycerol (v/v), and 20% PEG 8000 (w/v). Crystals grew within eight weeks and harvested an additional eight weeks after initial growth, VAPOR DIFFUSION, HANGING DROP, temperature 277K