3DQ2

Structure of the Yellow Fluorescent Protein Citrine Frozen at 4000 Atmospheres Number 1: Structure 23 in a Series of 26 High Pressure Structures

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F2
Synchrotron site	CHESS
Beamline	F2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-04-05
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	51.366, 69.993, 62.499
Unit cell angles	90.00, 89.98, 90.00

Refinement procedure

Resolution	20.000 - 1.600
R-factor	0.22427
Rwork	0.221
R-free	0.28213
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1huy
RMSD bond length	0.026
RMSD bond angle	2.321
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.420
High resolution limit [Å]	1.600	1.600
Rmerge	0.068	0.276
Number of reflections	27664
<I/σ(I)>	7.4	2.7
Completeness [%]	90.9	99.4
Redundancy	6.9	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	277	Crystals grown by seeding using a Seed Bead (HR2-320, Hampton Research) in 5% PEG 3350, 50 mM Na Acetate, 50 mM NH4 Acetate, pH 5.0. Crystals were grown at 4 deg C and at ambient pressure, VAPOR DIFFUSION, HANGING DROP, temperature 277K