3L2Y

The structure of C-reactive protein bound to phosphoethanolamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2006-12-01
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9686
Spacegroup name	P 41
Unit cell lengths	278.448, 278.448, 92.111
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	124.526 - 2.700
R-factor	0.2247
Rwork	0.224
R-free	0.24620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.082
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	PHASER (1.3.3)
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	125.000	2.850
High resolution limit [Å]	2.700	2.700
Rmerge	0.111	0.764
Total number of observations		139700
Number of reflections	193026
<I/σ(I)>	12.2	2
Completeness [%]	99.5	98.9
Redundancy	5.4	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	285.15	0.06M TRIS-HCL pH7.5, 10% MPD, 0.01M CaCl2, 0.14M NaCl, 0.1% NaN3, 0.1% LM AGAROSE, VAPOR DIFFUSION, HANGING DROP, temperature 285.15K